CID 10273

Pyridine-3,4-dicarboxylic acid

Structural Information

Molecular Formula
C7H5NO4
SMILES
C1=CN=CC(=C1C(=O)O)C(=O)O
InChI
InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKey
MUYSADWCWFFZKR-UHFFFAOYSA-N
Compound name
pyridine-3,4-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

2515
Patents

167.02185 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02913 131.5
[M+Na]+ 190.01107 142.4
[M+NH4]+ 185.05567 137.4
[M+K]+ 205.98501 139.5
[M-H]- 166.01457 130.1
[M+Na-2H]- 187.99652 136.1
[M]+ 167.02130 132.2
[M]- 167.02240 132.2
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