Cotinine

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Systematic / IUPAC Name: 1-Methyl-5-pyridin-3-ylpyrrolidin-2-one

ID: Reference355

Other Names: 1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone;
1-Methyl-5-(pyridin-3-yl)pyrrolidin-2-one;
2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-;
Rac Cotinine

Formula: C10H12N2O

Class: Endogenous Metabolites

Spectral Data

Cotinine 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 Orbitrap Elite; Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 4
No. of Spectra 404
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 10/11/2016 9:45:52 AM
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Identificators

InChI InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3
InChI Key UIKROCXWUNQSPJ-UHFFFAOYSA-N
Canonical SMILES CN1C(CCC1=O)C2=CN=CC=C2
CAS 486566
Splash
Other Names 1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone;
1-Methyl-5-(pyridin-3-yl)pyrrolidin-2-one;
2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-;
Rac Cotinine

In Other Databases

ChemIDPlus 000486566
ChEMBL CHEMBL664
Wikipedia Cotinine
ChemSpider 395
PubChem 408
HMDb HMDB01046