CID 9815515

5'-hydroxycotinine

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

CN1C(=O)CC[C@]1(C2=CN=CC=C2)O

InChI

InChI=1S/C10H12N2O2/c1-12-9(13)4-5-10(12,14)8-3-2-6-11-7-8/h2-3,6-7,14H,4-5H2,1H3/t10-/m1/s1

InChIKey

BBNHNZGTKSWIHD-SNVBAGLBSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 248
Patents: 192.08987 Da
Monoisotopic Mass: -0.5
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	140.0
[M+Na]+	215.07909	148.9
[M-H]-	191.08259	143.2
[M+NH4]+	210.12369	160.0
[M+K]+	231.05303	146.1
[M+H-H2O]+	175.08713	133.1
[M+HCOO]-	237.08807	160.2
[M+CH3COO]-	251.10372	178.4
[M+Na-2H]-	213.06454	144.9
[M]+	192.08932	138.1
[M]-	192.09042	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe