Ecgonine methyl ester

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

ID: Reference709

Other Names: Methyl ecgonine;
Ecgonine methyl ester;
8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-hydroxy-8-methyl-, methyl ester, (1R,2R,3S,5S)-;
Methyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;
(1R,2R,3S,5S)-2-(Methoxycarbonyl)tropan-3-ol

Formula: C10H17NO3

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

Ecgonine methyl ester mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 129
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/25/2015 1:50:44 PM
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Identificators

InChI InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1
InChI Key QIQNNBXHAYSQRY-UYXSQOIJSA-N
Canonical SMILES CN1C2CCC1C(C(C2)O)C(=O)OC
CAS 7143091
Splash
Other Names Methyl ecgonine;
Ecgonine methyl ester;
8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-hydroxy-8-methyl-, methyl ester, (1R,2R,3S,5S)-;
Methyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;
(1R,2R,3S,5S)-2-(Methoxycarbonyl)tropan-3-ol;
3-Hydroxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester

In Other Databases

ChEBI CHEBI:31529
ChemIDPlus 007143091
ChemSpider 94674
ChEMBL CHEMBL1232472
PubChem 104904