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
9
Annotation Hits

2293
References

54517
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 102.5
[M+Na]+ 80.994696 112.1
[M-H]- 56.998202 103.7
[M+NH4]+ 76.039301 127.6
[M+K]+ 96.968636 112.8
[M+H-H2O]+ 41.002738 99.1
[M+HCOO]- 103.00368 128.6
[M+CH3COO]- 117.01933 157.1
[M+Na-2H]- 78.980144 112.1
[M]+ 58.004929 103.9
[M]- 58.006027 103.9
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