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]+ 209.01145 148.2
[M+Na]+ 230.99339 156.6
[M+NH4]+ 226.03799 154.7
[M+K]+ 246.96733 153.6
[M-H]- 206.99689 151.4
[M+Na-2H]- 228.97884 152.5
[M]+ 208.00362 151.6
[M]- 208.00472 151.6
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.