CID 71363674

5927-70-8

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

55
Patents

164.01433 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.021606 122.5
[M+Na]+ 187.003548 133.7
[M-H]- 163.007054 128.0
[M+NH4]+ 182.048153 148.5
[M+K]+ 202.977488 134.2
[M+H-H2O]+ 147.011590 120.8
[M+HCOO]- 209.012531 141.5
[M+CH3COO]- 223.028181 171.3
[M+Na-2H]- 184.988996 128.8
[M]+ 164.01378142 127.1
[M]- 164.01487858 127.1
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