CID 23615292

2'-hydroxynicotine

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CN1CCC[C@]1(C2=CN=CC=C2)O

InChI

InChI=1S/C10H14N2O/c1-12-7-3-5-10(12,13)9-4-2-6-11-8-9/h2,4,6,8,13H,3,5,7H2,1H3/t10-/m1/s1

InChIKey

BOQRPPFUUSHFGW-SNVBAGLBSA-N

Compound name

(2R)-1-methyl-2-pyridin-3-ylpyrrolidin-2-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 55
Patents: 178.11061 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]+	179.11789	138.4
[M+Na]+	201.09983	146.2
[M-H]-	177.10333	141.2
[M+NH4]+	196.14443	158.8
[M+K]+	217.07377	143.5
[M+H-H2O]+	161.10787	131.2
[M+HCOO]-	223.10881	158.3
[M+CH3COO]-	237.12446	151.1
[M+Na-2H]-	199.08528	143.9
[M]+	178.11006	135.3
[M]-	178.11116	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe