CID 94158

Oxirane-2-carboxylic 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

3726
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 115.3
[M+Na]+ 111.00526 127.2
[M+NH4]+ 106.04987 123.7
[M+K]+ 126.97920 125.3
[M-H]- 87.008769 123.2
[M+Na-2H]- 108.99071 122.1
[M]+ 88.015496 120.1
[M]- 88.016594 120.1
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