CID 23321

4-hydroxypyridine 1-oxide

Structural Information

Molecular Formula

SMILES

C1=CN(C=CC1=O)O

InChI

InChI=1S/C5H5NO2/c7-5-1-3-6(8)4-2-5/h1-4,8H

InChIKey

NCDOCXYTOYFYHI-UHFFFAOYSA-N

Compound name

1-hydroxypyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 111.03203 Da
Monoisotopic Mass: -1.7
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]+	112.03931	116.8
[M+Na]+	134.02125	130.3
[M+NH4]+	129.06585	125.1
[M+K]+	149.99519	124.9
[M-H]-	110.02475	117.8
[M+Na-2H]-	132.00670	124.4
[M]+	111.03148	118.9
[M]-	111.03258	118.9

Literature stripe

literature stripe

Patent stripe

patents stripe