CID 131605555

2-methanesulfonylcyclopropane-1,1-dicarboxylic acid

Structural Information

Molecular Formula
C6H8O6S
SMILES
CS(=O)(=O)C1CC1(C(=O)O)C(=O)O
InChI
InChI=1S/C6H8O6S/c1-13(11,12)3-2-6(3,4(7)8)5(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKey
PGBGBZSNXSBKQU-UHFFFAOYSA-N
Compound name
2-methylsulfonylcyclopropane-1,1-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.00417 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.011446 136.5
[M+Na]+ 230.993388 145.8
[M-H]- 206.996894 138.8
[M+NH4]+ 226.037993 151.1
[M+K]+ 246.967328 143.5
[M+H-H2O]+ 191.001430 133.3
[M+HCOO]- 253.002371 150.2
[M+CH3COO]- 267.018021 179.5
[M+Na-2H]- 228.978836 140.1
[M]+ 208.00362142 142.4
[M]- 208.00471858 142.4
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.