CID 7878

107-61-9

Structural Information

Molecular Formula
C4H8O3S
SMILES
C1CS(=O)(=O)CCO1
InChI
InChI=1S/C4H8O3S/c5-8(6)3-1-7-2-4-8/h1-4H2
InChIKey
WWRUZECKUVNAPB-UHFFFAOYSA-N
Compound name
1,4-oxathiane 4,4-dioxide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

618
Patents

136.01941 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.02669 120.5
[M+Na]+ 159.00863 128.3
[M-H]- 135.01213 124.9
[M+NH4]+ 154.05323 143.2
[M+K]+ 174.98257 129.0
[M+H-H2O]+ 119.01667 116.4
[M+HCOO]- 181.01761 137.3
[M+CH3COO]- 195.03326 165.2
[M+Na-2H]- 156.99408 127.5
[M]+ 136.01886 120.4
[M]- 136.01996 120.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe