CID 315162

2-oxooxolane-3-carboxylic acid

Structural Information

Molecular Formula
C5H6O4
SMILES
C1COC(=O)C1C(=O)O
InChI
InChI=1S/C5H6O4/c6-4(7)3-1-2-9-5(3)8/h3H,1-2H2,(H,6,7)
InChIKey
ZEUUTMRKMHVAIG-UHFFFAOYSA-N
Compound name
2-oxooxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

130.02661 Da
Monoisotopic Mass

0.5
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

literature stripe

Patent stripe

patents stripe