CID 79485

2,6-diformylpyridine

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

1626
Patents

135.03203 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.039306 122.0
[M+Na]+ 158.021248 131.8
[M-H]- 134.024754 124.9
[M+NH4]+ 153.065853 142.7
[M+K]+ 173.995188 130.2
[M+H-H2O]+ 118.029290 116.0
[M+HCOO]- 180.030231 146.9
[M+CH3COO]- 194.045881 171.3
[M+Na-2H]- 156.006696 130.8
[M]+ 135.03148142 123.6
[M]- 135.03257858 123.6
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