CID 10365

Pyridine-2,4-dicarboxylic acid

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

97
References

4067
Patents

167.02185 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02913 129.8
[M+Na]+ 190.01107 138.0
[M-H]- 166.01457 129.9
[M+NH4]+ 185.05567 147.3
[M+K]+ 205.98501 136.5
[M+H-H2O]+ 150.01911 123.9
[M+HCOO]- 212.02005 150.0
[M+CH3COO]- 226.03570 172.1
[M+Na-2H]- 187.99652 135.0
[M]+ 167.02130 129.2
[M]- 167.02240 129.2
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