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 136.5
[M+Na]+ 230.99339 145.8
[M-H]- 206.99689 138.8
[M+NH4]+ 226.03799 151.1
[M+K]+ 246.96733 143.5
[M+H-H2O]+ 191.00143 133.3
[M+HCOO]- 253.00237 150.2
[M+CH3COO]- 267.01802 179.5
[M+Na-2H]- 228.97884 140.1
[M]+ 208.00362 142.4
[M]- 208.00472 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.