CID 75406900

3-(pyridin-3-yl)oxetan-3-ol

Structural Information

Molecular Formula

SMILES

C1C(CO1)(C2=CN=CC=C2)O

InChI

InChI=1S/C8H9NO2/c10-8(5-11-6-8)7-2-1-3-9-4-7/h1-4,10H,5-6H2

InChIKey

LJGSGLSJYSOXNK-UHFFFAOYSA-N

Compound name

3-pyridin-3-yloxetan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 151.06332 Da
Monoisotopic Mass: -0.6
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]+	152.07060	126.2
[M+Na]+	174.05254	134.8
[M+NH4]+	169.09714	132.2
[M+K]+	190.02648	129.8
[M-H]-	150.05604	127.3
[M+Na-2H]-	172.03799	133.1
[M]+	151.06277	126.7
[M]-	151.06387	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe