1-Methylnicotinamide

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Systematic / IUPAC Name: 3-Carbamoyl-1-methylpyridinium

ID: Reference138

Other Names: Trigonellinamide;
3-(Aminocarbonyl)-1-methylpyridinium;
Pyridinium, 3-carbamoyl-1-methyl-;
Pyridinium, 3-(aminocarbonyl)-1-methyl-;
1-Methyl-3-carbamoylpyridinium ; more

Formula: C7H9N2O+

Class: Endogenous Metabolites

Spectral Data

1-Methylnicotinamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/6/2014 10:35:01 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1
InChI Key LDHMAVIPBRSVRG-UHFFFAOYSA-O
Canonical SMILES C[N+]1=CC=CC(=C1)C(=O)N
CAS 3106603
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Other Names Trigonellinamide;
3-(Aminocarbonyl)-1-methylpyridinium;
Pyridinium, 3-carbamoyl-1-methyl-;
Pyridinium, 3-(aminocarbonyl)-1-methyl-;
1-Methyl-3-carbamoylpyridinium;
N-Methylnicotinamide;
N-Methyl-3-carbamidopyridinium;
3-Carbamoyl-1-methyl-pyridinium;
3-Carbamoyl-1-methylpyridin-1-ium

In Other Databases

HMDb HMDB00699
KEGG C02918
ChemIDPlus 003106603; 006456446
ChemSpider 444
PubChem 457
ChEMBL CHEMBL71733
ChEBI CHEBI:16797