CID 22476551

6-(hydroxymethyl)pyridin-2-ol

Structural Information

Molecular Formula

SMILES

C1=CC(=O)NC(=C1)CO

InChI

InChI=1S/C6H7NO2/c8-4-5-2-1-3-6(9)7-5/h1-3,8H,4H2,(H,7,9)

InChIKey

OCIJNSPIKMBDDH-UHFFFAOYSA-N

Compound name

6-(hydroxymethyl)-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 125.047676 Da
Monoisotopic Mass: -0.7
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]+	126.05495	121.9
[M+Na]+	148.03689	134.6
[M+NH4]+	143.08150	129.6
[M+K]+	164.01083	129.2
[M-H]-	124.04040	122.3
[M+Na-2H]-	146.02234	128.5
[M]+	125.04713	123.6
[M]-	125.04822	123.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe