CID 69431

Dihydroxyacetaldehyde

Structural Information

Molecular Formula
C2H4O3
SMILES
C(=O)C(O)O
InChI
InChI=1S/C2H4O3/c3-1-2(4)5/h1-2,4-5H
InChIKey
ROUFUEVOXWOSOA-UHFFFAOYSA-N
Compound name
2,2-dihydroxyacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

76.016045 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 77.023321 109.6
[M+Na]+ 99.005263 117.7
[M-H]- 75.008769 107.8
[M+NH4]+ 94.049868 132.4
[M+K]+ 114.979203 117.9
[M+H-H2O]+ 59.013305 106.1
[M+HCOO]- 121.014246 131.6
[M+CH3COO]- 135.029896 155.5
[M+Na-2H]- 96.990711 116.5
[M]+ 76.01549642 108.5
[M]- 76.01659358 108.5
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