CID 251555

3-hydroxy-2-(pyrrolidinomethyl)-pyridine

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

C1CCN(C1)CC2=C(C=CC=N2)O

InChI

InChI=1S/C10H14N2O/c13-10-4-3-5-11-9(10)8-12-6-1-2-7-12/h3-5,13H,1-2,6-8H2

InChIKey

JUNVYXJFFGIRNO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 178.11061 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]+	179.11789	138.8
[M+Na]+	201.09983	145.5
[M-H]-	177.10333	141.1
[M+NH4]+	196.14443	157.1
[M+K]+	217.07377	142.6
[M+H-H2O]+	161.10787	130.9
[M+HCOO]-	223.10881	158.6
[M+CH3COO]-	237.12446	176.5
[M+Na-2H]-	199.08528	143.2
[M]+	178.11006	135.4
[M]-	178.11116	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe