CID 71363674

4,4-dimethyl-1,2lambda6-oxathiolane-2,2,5-trione

Structural Information

Molecular Formula
C5H8O4S
SMILES
CC1(CS(=O)(=O)OC1=O)C
InChI
InChI=1S/C5H8O4S/c1-5(2)3-10(7,8)9-4(5)6/h3H2,1-2H3
InChIKey
UURBFMNWNPKPLM-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2,2-dioxooxathiolan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

164.01433 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.02161 130.7
[M+Na]+ 187.00355 140.3
[M+NH4]+ 182.04815 140.9
[M+K]+ 202.97749 133.0
[M-H]- 163.00705 131.5
[M+Na-2H]- 184.98900 136.1
[M]+ 164.01378 132.8
[M]- 164.01488 132.8
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

patents stripe