CID 122164268

3-(methoxycarbonyl)oxolane-2-carboxylic acid

Structural Information

Molecular Formula
C7H10O5
SMILES
COC(=O)C1CCOC1C(=O)O
InChI
InChI=1S/C7H10O5/c1-11-7(10)4-2-3-12-5(4)6(8)9/h4-5H,2-3H2,1H3,(H,8,9)
InChIKey
XHOKTQRTPCFXJW-UHFFFAOYSA-N
Compound name
3-methoxycarbonyloxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.05283 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06011 133.8
[M+Na]+ 197.04205 140.2
[M-H]- 173.04555 136.5
[M+NH4]+ 192.08665 153.5
[M+K]+ 213.01599 141.7
[M+H-H2O]+ 157.05009 129.1
[M+HCOO]- 219.05103 153.8
[M+CH3COO]- 233.06668 174.3
[M+Na-2H]- 195.02750 136.4
[M]+ 174.05228 134.3
[M]- 174.05338 134.3
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.