CID 10219774

3-hydroxycotinine

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

CN1[C@@H](CC(C1=O)O)C2=CN=CC=C2

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

InChIKey

XOKCJXZZNAUIQN-IENPIDJESA-N

Compound name

(5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 225
References: 433
Patents: 192.08987 Da
Monoisotopic Mass: -0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	193.09715	140.7
[M+Na]+	215.07909	149.5
[M-H]-	191.08259	143.9
[M+NH4]+	210.12369	158.9
[M+K]+	231.05303	146.5
[M+H-H2O]+	175.08713	133.4
[M+HCOO]-	237.08807	160.8
[M+CH3COO]-	251.10372	180.0
[M+Na-2H]-	213.06454	143.7
[M]+	192.08932	138.8
[M]-	192.09042	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe