CID 69113

4-hydroxynicotinic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

10
References

651
Patents

139.02695 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.03423 122.9
[M+Na]+ 162.01617 131.9
[M-H]- 138.01967 123.1
[M+NH4]+ 157.06077 141.8
[M+K]+ 177.99011 129.6
[M+H-H2O]+ 122.02421 117.3
[M+HCOO]- 184.02515 144.2
[M+CH3COO]- 198.04080 166.1
[M+Na-2H]- 160.00162 129.8
[M]+ 139.02640 121.1
[M]- 139.02750 121.1
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