CID 12629171

58742-82-8

Structural Information

Molecular Formula
C5H8O4S
SMILES
CC1(C(=O)CS(=O)(=O)O1)C
InChI
InChI=1S/C5H8O4S/c1-5(2)4(6)3-10(7,8)9-5/h3H2,1-2H3
InChIKey
JDDBKQPRYIYGND-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2,2-dioxooxathiolan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

451
Patents

164.01433 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.02161 122.5
[M+Na]+ 187.00355 133.7
[M-H]- 163.00705 128.0
[M+NH4]+ 182.04815 148.5
[M+K]+ 202.97749 134.2
[M+H-H2O]+ 147.01159 120.8
[M+HCOO]- 209.01253 141.5
[M+CH3COO]- 223.02818 171.3
[M+Na-2H]- 184.98900 128.8
[M]+ 164.01378 127.1
[M]- 164.01488 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