CID 94158

Glycidic acid

Structural Information

Molecular Formula
C3H4O3
SMILES
C1C(O1)C(=O)O
InChI
InChI=1S/C3H4O3/c4-3(5)2-1-6-2/h2H,1H2,(H,4,5)
InChIKey
OTGHWLKHGCENJV-UHFFFAOYSA-N
Compound name
oxirane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

4673
Patents

88.016045 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.023321 112.6
[M+Na]+ 111.00526 122.8
[M-H]- 87.008769 117.4
[M+NH4]+ 106.04987 129.5
[M+K]+ 126.97920 123.1
[M+H-H2O]+ 71.013305 107.5
[M+HCOO]- 133.01425 135.1
[M+CH3COO]- 147.02990 163.9
[M+Na-2H]- 108.99071 121.2
[M]+ 88.015496 115.9
[M]- 88.016594 115.9
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