CID 12290

4-hydroxypyridine

Structural Information

Molecular Formula
C5H5NO
SMILES
C1=CNC=CC1=O
InChI
InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
InChIKey
GCNTZFIIOFTKIY-UHFFFAOYSA-N
Compound name
1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

105
References

31341
Patents

95.03712 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.044396 112.7
[M+Na]+ 118.02634 121.8
[M-H]- 94.029844 114.1
[M+NH4]+ 113.07094 134.1
[M+K]+ 134.00028 119.8
[M+H-H2O]+ 78.034380 107.3
[M+HCOO]- 140.03532 136.3
[M+CH3COO]- 154.05097 160.3
[M+Na-2H]- 116.01179 122.8
[M]+ 95.036571 110.6
[M]- 95.037669 110.6
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