CID 1512669

188554-13-4

Structural Information

Molecular Formula
C6H5NO2
SMILES
C1=CNC(=O)C=C1C=O
InChI
InChI=1S/C6H5NO2/c8-4-5-1-2-7-6(9)3-5/h1-4H,(H,7,9)
InChIKey
IDDXMCNSHNXTRS-UHFFFAOYSA-N
Compound name
2-oxo-1H-pyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

229
Patents

123.03203 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.03931 118.8
[M+Na]+ 146.02125 128.6
[M-H]- 122.02475 120.4
[M+NH4]+ 141.06585 139.2
[M+K]+ 161.99519 126.2
[M+H-H2O]+ 106.02929 113.2
[M+HCOO]- 168.03023 142.4
[M+CH3COO]- 182.04588 165.6
[M+Na-2H]- 144.00670 127.5
[M]+ 123.03148 118.1
[M]- 123.03258 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