Cotinine

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

ID: Reference13579

Other Names: S-(-)-Cotinine;
(S)-Cotinine;
(-)-Cotinine;
AA-2531

Formula: C10H12N2O

Class: Pesticides/Herbicides

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 ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 325
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 10/14/2025 8:41:01 AM
View Mass Spec Data > >

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/t9-/m0/s1
InChI Key UIKROCXWUNQSPJ-VIFPVBQESA-N
Canonical SMILES CN1[C@@H](CCC1=O)C2=CN=CC=C2
CAS
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Other Names S-(-)-Cotinine;
(S)-Cotinine;
(-)-Cotinine;
AA-2531

In Other Databases

Wikipedia Cotinine
ChEBI CHEBI:68641
ChEMBL CHEMBL578211
ChemSpider 746405
PubChem 854019