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]+ 209.01145 137.0
[M+Na]+ 230.99339 145.4
[M-H]- 206.99689 140.3
[M+NH4]+ 226.03799 157.7
[M+K]+ 246.96733 145.8
[M+H-H2O]+ 191.00143 134.4
[M+HCOO]- 253.00237 152.2
[M+CH3COO]- 267.01802 175.4
[M+Na-2H]- 228.97884 141.6
[M]+ 208.00362 140.2
[M]- 208.00472 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.