CID 79485

2,6-pyridinedicarboxaldehyde

Structural Information

Molecular Formula
C7H5NO2
SMILES
C1=CC(=NC(=C1)C=O)C=O
InChI
InChI=1S/C7H5NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-5H
InChIKey
PMWXGSWIOOVHEQ-UHFFFAOYSA-N
Compound name
pyridine-2,6-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

1188
Patents

135.03203 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.03931 124.3
[M+Na]+ 158.02125 138.0
[M+NH4]+ 153.06585 132.3
[M+K]+ 173.99519 131.7
[M-H]- 134.02475 125.5
[M+Na-2H]- 156.00670 131.8
[M]+ 135.03148 126.4
[M]- 135.03258 126.4
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