CID 70623

1073-05-8

Structural Information

Molecular Formula
C3H6O4S
SMILES
C1COS(=O)(=O)OC1
InChI
InChI=1S/C3H6O4S/c4-8(5)6-2-1-3-7-8/h1-3H2
InChIKey
OQYOVYWFXHQYOP-UHFFFAOYSA-N
Compound name
1,3,2-dioxathiane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2011
Patents

137.99867 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.005946 118.5
[M+Na]+ 160.987888 126.7
[M-H]- 136.991394 123.8
[M+NH4]+ 156.032493 139.8
[M+K]+ 176.961828 129.1
[M+H-H2O]+ 120.995930 114.6
[M+HCOO]- 182.996871 135.2
[M+CH3COO]- 197.012521 164.5
[M+Na-2H]- 158.973336 127.1
[M]+ 137.99812142 120.1
[M]- 137.99921858 120.1
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