CID 71373736

62822-68-8

Structural Information

Molecular Formula
C4H8O4S
SMILES
CC1COS(=O)(=O)OC1
InChI
InChI=1S/C4H8O4S/c1-4-2-7-9(5,6)8-3-4/h4H,2-3H2,1H3
InChIKey
JAABAXUXIQYUFF-UHFFFAOYSA-N
Compound name
5-methyl-1,3,2-dioxathiane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

152.01433 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02161 122.2
[M+Na]+ 175.00355 130.8
[M-H]- 151.00705 127.6
[M+NH4]+ 170.04815 143.2
[M+K]+ 190.97749 133.0
[M+H-H2O]+ 135.01159 118.3
[M+HCOO]- 197.01253 138.4
[M+CH3COO]- 211.02818 168.7
[M+Na-2H]- 172.98900 129.7
[M]+ 152.01378 124.5
[M]- 152.01488 124.5
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