CID 165944598

3-methanesulfonyl-5-oxooxolane-3-carboxylic acid

Structural Information

Molecular Formula
C6H8O6S
SMILES
CS(=O)(=O)C1(CC(=O)OC1)C(=O)O
InChI
InChI=1S/C6H8O6S/c1-13(10,11)6(5(8)9)2-4(7)12-3-6/h2-3H2,1H3,(H,8,9)
InChIKey
XOEJDWCCIFVNCP-UHFFFAOYSA-N
Compound name
3-methylsulfonyl-5-oxooxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.00417 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.011446 137.0
[M+Na]+ 230.993388 145.4
[M-H]- 206.996894 140.3
[M+NH4]+ 226.037993 157.7
[M+K]+ 246.967328 145.8
[M+H-H2O]+ 191.001430 134.4
[M+HCOO]- 253.002371 152.2
[M+CH3COO]- 267.018021 175.4
[M+Na-2H]- 228.978836 141.6
[M]+ 208.00362142 140.2
[M]- 208.00471858 140.2
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.