CID 2736578

3-hydroxy-4-methanesulfonyl-1lambda6-thiolane-1,1-dione

Structural Information

Molecular Formula
C5H10O5S2
SMILES
CS(=O)(=O)C1CS(=O)(=O)CC1O
InChI
InChI=1S/C5H10O5S2/c1-11(7,8)5-3-12(9,10)2-4(5)6/h4-6H,2-3H2,1H3
InChIKey
XLOUZKLQIAFCNQ-UHFFFAOYSA-N
Compound name
4-methylsulfonyl-1,1-dioxothiolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

213.99696 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00424 140.3
[M+Na]+ 236.98618 149.8
[M-H]- 212.98968 142.7
[M+NH4]+ 232.03078 162.4
[M+K]+ 252.96012 146.9
[M+H-H2O]+ 196.99422 137.7
[M+HCOO]- 258.99516 151.4
[M+CH3COO]- 273.01081 175.7
[M+Na-2H]- 234.97163 142.6
[M]+ 213.99641 143.0
[M]- 213.99751 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe