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

39
Patents

152.01433 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.021606 122.2
[M+Na]+ 175.003548 130.8
[M-H]- 151.007054 127.6
[M+NH4]+ 170.048153 143.2
[M+K]+ 190.977488 133.0
[M+H-H2O]+ 135.011590 118.3
[M+HCOO]- 197.012531 138.4
[M+CH3COO]- 211.028181 168.7
[M+Na-2H]- 172.988996 129.7
[M]+ 152.01378142 124.5
[M]- 152.01487858 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