Systematic / IUPAC Name: Methyl 1-methyl-1,2,5,6-tetrahydro-3-pyridinecarboxylate
ID: Reference5850
Other Names:
Arecaline;
Arecholin;
Arecholine;
Arecolin;
Arecoline base
; more
Formula: C8H13NO2
Class: Endogenous Metabolites
Arecoline mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS ; Q Exactive Orbitrap |
No. of Spectral Trees | 2 |
No. of Spectra | 319 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | ESI; NSI |
Analyzers | FT |
Last Modification | 5/16/2018 10:48:21 AM |
InChI | InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3 |
InChI Key | HJJPJSXJAXAIPN-UHFFFAOYSA-N |
Canonical SMILES | CN1CCC=C(C1)C(=O)OC |
CAS | |
Splash | |
Other Names |
Arecaline; Arecholin; Arecholine; Arecolin; Arecoline base; Arekolin; N-Methyl-δ-tetrahydronicotinic acid methyl ester; N-Methyltetrahydronicotinic acid, methyl ester; N-Methyltetrahydropyridine-β-carboxylic acid methyl ester; 1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid, methyl ester; 1,2,5,6-Tetrahydro-1-methylnicotinic acid, methyl ester; 1-Methyl-δ(sup 3,4)tetrahydro-3-pyridinecarboxylate; 1-Methyl-1,2,5,6-tetrahydro-pyridine-3-carboxylic acid methyl ester; 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl, methyl ester; Arecaidine methyl ester; Methyl N-methyl-1,2,5,6-tetrahydronicotinate; Methyl N-methyltetrahydronicotinate; Methyl 1,2,5,6-tetrahydro-1-methylnicotinate; Methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate; Methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate; Methyl 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylate; Methylarecaiden; Methylarecaidin; Methylarecaidine; Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl, methyl ester |
PubChem | 2230 |
ChemSpider | 13872064 |
HMDb | HMDB30353 |
ChEBI | CHEBI:2814 |
DrugBank | DB04365 |
KEGG | C10129 |
Wikipedia | Arecoline |
ChEMBL | CHEMBL7303 |