CID 21702798

1-(pyridin-2-yl)pyrrolidin-3-ol

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

C1CN(CC1O)C2=CC=CC=N2

InChI

InChI=1S/C9H12N2O/c12-8-4-6-11(7-8)9-3-1-2-5-10-9/h1-3,5,8,12H,4,6-7H2

InChIKey

JAVUBKWZTRFGDS-UHFFFAOYSA-N

Compound name

1-pyridin-2-ylpyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 164.09496 Da
Monoisotopic Mass: 0.8
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]+	165.102236	134.3
[M+Na]+	187.084178	141.4
[M-H]-	163.087684	136.8
[M+NH4]+	182.128783	153.1
[M+K]+	203.058118	138.8
[M+H-H2O]+	147.092220	126.6
[M+HCOO]-	209.093161	154.4
[M+CH3COO]-	223.108811	146.9
[M+Na-2H]-	185.069626	139.2
[M]+	164.09441142	130.5
[M]-	164.09550858	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe