CID 54223786

2613384-08-8

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

C1C(CN1C2=CC=CC=N2)O

InChI

InChI=1S/C8H10N2O/c11-7-5-10(6-7)8-3-1-2-4-9-8/h1-4,7,11H,5-6H2

InChIKey

XIAUMMVPCVOPGB-UHFFFAOYSA-N

Compound name

1-pyridin-2-ylazetidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 150.07932 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]+	151.086596	127.4
[M+Na]+	173.068538	134.3
[M-H]-	149.072044	129.9
[M+NH4]+	168.113143	138.8
[M+K]+	189.042478	135.0
[M+H-H2O]+	133.076580	115.0
[M+HCOO]-	195.077521	146.7
[M+CH3COO]-	209.093171	176.0
[M+Na-2H]-	171.053986	134.7
[M]+	150.07877142	133.7
[M]-	150.07986858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe