CID 54696004

2,4-dihydroxypyridine

Structural Information

Molecular Formula
C5H5NO2
SMILES
C1=CNC(=O)C=C1O
InChI
InChI=1S/C5H5NO2/c7-4-1-2-6-5(8)3-4/h1-3H,(H2,6,7,8)
InChIKey
ZEZJPIDPVXJEME-UHFFFAOYSA-N
Compound name
4-hydroxy-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

1978
Patents

111.03203 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.03931 116.4
[M+Na]+ 134.02125 125.9
[M-H]- 110.02475 116.7
[M+NH4]+ 129.06585 136.7
[M+K]+ 149.99519 123.5
[M+H-H2O]+ 94.029290 111.2
[M+HCOO]- 156.03023 138.7
[M+CH3COO]- 170.04588 160.9
[M+Na-2H]- 132.00670 125.2
[M]+ 111.03148 114.2
[M]- 111.03258 114.2
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