CID 12043122

4-hydroxypyridine-3-carboxamide

Structural Information

Molecular Formula
C6H6N2O2
SMILES
C1=CNC=C(C1=O)C(=O)N
InChI
InChI=1S/C6H6N2O2/c7-6(10)4-3-8-2-1-5(4)9/h1-3H,(H2,7,10)(H,8,9)
InChIKey
UDTVJEZIOILIRG-UHFFFAOYSA-N
Compound name
4-oxo-1H-pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

123
Patents

138.04292 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05020 124.1
[M+Na]+ 161.03214 132.7
[M-H]- 137.03564 125.2
[M+NH4]+ 156.07674 143.2
[M+K]+ 177.00608 130.4
[M+H-H2O]+ 121.04018 118.1
[M+HCOO]- 183.04112 147.1
[M+CH3COO]- 197.05677 170.8
[M+Na-2H]- 159.01759 130.7
[M]+ 138.04237 121.0
[M]- 138.04347 121.0
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