CID 69114

2-hydroxynicotinic acid

Structural Information

Molecular Formula
C6H5NO3
SMILES
C1=CNC(=O)C(=C1)C(=O)O
InChI
InChI=1S/C6H5NO3/c8-5-4(6(9)10)2-1-3-7-5/h1-3H,(H,7,8)(H,9,10)
InChIKey
UEYQJQVBUVAELZ-UHFFFAOYSA-N
Compound name
2-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

2851
Patents

139.02695 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.03423 124.5
[M+Na]+ 162.01617 136.4
[M+NH4]+ 157.06077 131.2
[M+K]+ 177.99011 132.3
[M-H]- 138.01967 123.8
[M+Na-2H]- 160.00162 130.1
[M]+ 139.02640 125.6
[M]- 139.02750 125.6
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