CID 22018813

1,6-dihydro-6-oxopyridine-2-carboxaldehyde

Structural Information

Molecular Formula
C6H5NO2
SMILES
C1=CC(=O)NC(=C1)C=O
InChI
InChI=1S/C6H5NO2/c8-4-5-2-1-3-6(9)7-5/h1-4H,(H,7,9)
InChIKey
KRZYMTAWRSVBPH-UHFFFAOYSA-N
Compound name
6-oxo-1H-pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

123.03203 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.039306 118.8
[M+Na]+ 146.021248 128.6
[M-H]- 122.024754 120.4
[M+NH4]+ 141.065853 139.2
[M+K]+ 161.995188 126.2
[M+H-H2O]+ 106.029290 113.2
[M+HCOO]- 168.030231 142.4
[M+CH3COO]- 182.045881 165.6
[M+Na-2H]- 144.006696 127.5
[M]+ 123.03148142 118.1
[M]- 123.03257858 118.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe