CID 22018813

358751-77-6

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

116
Patents

123.03203 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.03931 120.7
[M+Na]+ 146.02125 134.0
[M+NH4]+ 141.06585 128.5
[M+K]+ 161.99519 128.2
[M-H]- 122.02475 121.4
[M+Na-2H]- 144.00670 127.8
[M]+ 123.03148 122.6
[M]- 123.03258 122.6
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