CID 55264283

153493-52-8

Structural Information

Molecular Formula
C5H8O4S
SMILES
C1CC12COS(=O)(=O)OC2
InChI
InChI=1S/C5H8O4S/c6-10(7)8-3-5(1-2-5)4-9-10/h1-4H2
InChIKey
JIIABAJOYJJDQW-UHFFFAOYSA-N
Compound name
5,7-dioxa-6lambda6-thiaspiro[2.5]octane 6,6-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
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 127.8
[M+Na]+ 187.00355 138.0
[M-H]- 163.00705 136.1
[M+NH4]+ 182.04815 145.4
[M+K]+ 202.97749 140.9
[M+H-H2O]+ 147.01159 123.8
[M+HCOO]- 209.01253 143.0
[M+CH3COO]- 223.02818 173.1
[M+Na-2H]- 184.98900 137.4
[M]+ 164.01378 132.7
[M]- 164.01488 132.7
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