CID 10367

2,6-pyridinedicarboxylic acid

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

1050
References

31012
Patents

167.02185 Da
Monoisotopic Mass

0.6
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