CID 13425805

96479-20-8

Structural Information

Molecular Formula
C7H10O5
SMILES
COC(=O)[C@H]1CC[C@H](O1)C(=O)O
InChI
InChI=1S/C7H10O5/c1-11-7(10)5-3-2-4(12-5)6(8)9/h4-5H,2-3H2,1H3,(H,8,9)/t4-,5+/m0/s1
InChIKey
SHSCEGGPAKMDDE-CRCLSJGQSA-N
Compound name
(2S,5R)-5-methoxycarbonyloxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.05283 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.060106 133.8
[M+Na]+ 197.042048 140.2
[M-H]- 173.045554 136.5
[M+NH4]+ 192.086653 153.5
[M+K]+ 213.015988 141.7
[M+H-H2O]+ 157.050090 129.1
[M+HCOO]- 219.051031 153.8
[M+CH3COO]- 233.066681 174.3
[M+Na-2H]- 195.027496 136.4
[M]+ 174.05228142 134.3
[M]- 174.05337858 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.