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

45
Patents

164.01433 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.021606 127.8
[M+Na]+ 187.003548 138.0
[M-H]- 163.007054 136.1
[M+NH4]+ 182.048153 145.4
[M+K]+ 202.977488 140.9
[M+H-H2O]+ 147.011590 123.8
[M+HCOO]- 209.012531 143.0
[M+CH3COO]- 223.028181 173.1
[M+Na-2H]- 184.988996 137.4
[M]+ 164.01378142 132.7
[M]- 164.01487858 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