CID 69975

2-pyridinol-1-oxide

Structural Information

Molecular Formula
C5H5NO2
SMILES
C1=CC(=O)N(C=C1)O
InChI
InChI=1S/C5H5NO2/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKey
SNUSZUYTMHKCPM-UHFFFAOYSA-N
Compound name
1-hydroxypyridin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

41
References

11080
Patents

111.03203 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.039306 115.4
[M+Na]+ 134.021248 125.4
[M-H]- 110.024754 117.2
[M+NH4]+ 129.065853 136.5
[M+K]+ 149.995188 123.9
[M+H-H2O]+ 94.029290 110.0
[M+HCOO]- 156.030231 139.2
[M+CH3COO]- 170.045881 163.5
[M+Na-2H]- 132.006696 124.7
[M]+ 111.03148142 115.1
[M]- 111.03257858 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