CID 25201488

N'-hydroxymethylnorcotinine

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

C1CC(=O)N([C@@H]1C2=CN=CC=C2)CO

InChI

InChI=1S/C10H12N2O2/c13-7-12-9(3-4-10(12)14)8-2-1-5-11-6-8/h1-2,5-6,9,13H,3-4,7H2/t9-/m0/s1

InChIKey

GQUFOBHEPVFQMD-VIFPVBQESA-N

Compound name

(5S)-1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 2
Patents: 192.08987 Da
Monoisotopic Mass: -0.4
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	140.8
[M+Na]+	215.07909	148.6
[M-H]-	191.08259	143.5
[M+NH4]+	210.12369	158.6
[M+K]+	231.05303	145.6
[M+H-H2O]+	175.08713	133.1
[M+HCOO]-	237.08807	160.9
[M+CH3COO]-	251.10372	178.8
[M+Na-2H]-	213.06454	144.5
[M]+	192.08932	138.5
[M]-	192.09042	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe