Anhydroecgonine methyl ester

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Systematic / IUPAC Name: Methyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylate

ID: Reference583

Other Names: Methylecgonidine;
Anhydroecgonine methyl ester;
Anhydromethylecgonine;
Methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;
8-Azabicyclo(3.2.1)oct-2-ene-2-carboxylic acid, 8-methyl-, methyl ester, (1R,5S)-

Formula: C10H15NO2

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

Anhydroecgonine methyl ester 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 Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 112
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/9/2015 3:23:50 PM
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Identificators

InChI InChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h5,7,9H,3-4,6H2,1-2H3/t7-,9-/m1/s1
InChI Key MPSNEAHFGOEKBI-VXNVDRBHSA-N
Canonical SMILES
CAS 50373109
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Other Names Methylecgonidine;
Anhydroecgonine methyl ester;
Anhydromethylecgonine;
Methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;
8-Azabicyclo(3.2.1)oct-2-ene-2-carboxylic acid, 8-methyl-, methyl ester, (1R,5S)-

In Other Databases

Wikipedia Methylecgonidine
PubChem 119478
ChemSpider 503322
ChemIDPlus 043021267
ChEMBL CHEMBL451136