CID 9964107

4-methyl-1,3,2-dioxathiolane 2,2-dioxide

Structural Information

Molecular Formula
C3H6O4S
SMILES
CC1COS(=O)(=O)O1
InChI
InChI=1S/C3H6O4S/c1-3-2-6-8(4,5)7-3/h3H,2H2,1H3
InChIKey
OQXNUCOGMMHHNA-UHFFFAOYSA-N
Compound name
4-methyl-1,3,2-dioxathiolane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3304
Patents

137.99867 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.005946 118.1
[M+Na]+ 160.987888 128.3
[M-H]- 136.991394 123.9
[M+NH4]+ 156.032493 141.6
[M+K]+ 176.961828 130.5
[M+H-H2O]+ 120.995930 115.4
[M+HCOO]- 182.996871 136.8
[M+CH3COO]- 197.012521 165.3
[M+Na-2H]- 158.973336 124.8
[M]+ 137.99812142 122.2
[M]- 137.99921858 122.2
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