CID 124138234

4-oxooxolane-2-carboxylic acid

Structural Information

Molecular Formula
C5H6O4
SMILES
C1C(OCC1=O)C(=O)O
InChI
InChI=1S/C5H6O4/c6-3-1-4(5(7)8)9-2-3/h4H,1-2H2,(H,7,8)
InChIKey
UWONJGBQYPCSEH-UHFFFAOYSA-N
Compound name
4-oxooxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

130.02661 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.03389 121.3
[M+Na]+ 153.01583 128.9
[M-H]- 129.01933 124.4
[M+NH4]+ 148.06043 142.9
[M+K]+ 168.98977 129.8
[M+H-H2O]+ 113.02387 117.1
[M+HCOO]- 175.02481 142.8
[M+CH3COO]- 189.04046 165.8
[M+Na-2H]- 151.00128 126.2
[M]+ 130.02606 120.4
[M]- 130.02716 120.4
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

patents stripe