CID 23321

4-pyridinol, 1-oxide

Structural Information

Molecular Formula
C5H5NO2
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

173
Patents

111.03203 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.03931 115.4
[M+Na]+ 134.02125 125.4
[M-H]- 110.02475 117.2
[M+NH4]+ 129.06585 136.5
[M+K]+ 149.99519 123.9
[M+H-H2O]+ 94.029290 110.0
[M+HCOO]- 156.03023 139.2
[M+CH3COO]- 170.04588 163.5
[M+Na-2H]- 132.00670 124.7
[M]+ 111.03148 115.1
[M]- 111.03258 115.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe