CID 7860

Glyoxal

Structural Information

Molecular Formula
C2H2O2
SMILES
C(=O)C=O
InChI
InChI=1S/C2H2O2/c3-1-2-4/h1-2H
InChIKey
LEQAOMBKQFMDFZ-UHFFFAOYSA-N
Compound name
oxaldehyde
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2284
References

21494
Patents

58.005478 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 59.012754 105.0
[M+Na]+ 80.994696 116.5
[M+NH4]+ 76.039301 113.4
[M+K]+ 96.968636 111.4
[M-H]- 56.998202 104.3
[M+Na-2H]- 78.980144 110.1
[M]+ 58.004929 106.2
[M]- 58.006027 106.2
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