Ecgonine

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Systematic / IUPAC Name: 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid

ID: Reference2066

Other Names: 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid;
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-hydroxy-8-methyl-, (2-endo,3-exo)-

Formula: C9H15NO3

Class: Drugs of Abuse/Illegal Drugs Endogenous Metabolites Sports Doping Drugs

Spectral Data

Ecgonine 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 Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/16/2016 11:57:11 AM
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Identificators

InChI InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)
InChI Key PHMBVCPLDPDESM-UHFFFAOYSA-N
Canonical SMILES CN1C2CCC1C(C(C2)O)C(=O)O
CAS 481378
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Other Names 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid;
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-hydroxy-8-methyl-, (2-endo,3-exo)-

In Other Databases

PubChem 251910
ChemSpider 220719
ChEMBL CHEMBL1616393
Wikipedia Ecgonine