trans-3-Hydroxycotinine

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Systematic / IUPAC Name: 3-Hydroxy-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone

ID: Reference730

Other Names: Hydroxycotinine;
(3R,5S)-3-Hydroxy-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one;
(3R-trans-)-3-Hydroxy-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone;
2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)-, (3R,5S)-

Formula: C10H12N2O2

Class: Endogenous Metabolites

Spectral Data

trans-3-Hydroxycotinine 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 Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 104
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 3/2/2015 12:08:57 PM
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Identificators

InChI InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9+/m0/s1
InChI Key XOKCJXZZNAUIQN-DTWKUNHWSA-N
Canonical SMILES O=C2N(C)C(c1cnccc1)CC2O
CAS 108450028
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Other Names Hydroxycotinine;
(3R,5S)-3-Hydroxy-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one;
(3R-trans-)-3-Hydroxy-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone;
2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)-, (3R,5S)-

In Other Databases

ChEMBL CHEMBL1614639
ChEBI CHEBI:71182
ChemIDPlus 108450028
ChemSpider 97080
PubChem 107963