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

5016
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.