CID 20481

4-methyl-1,3,2-dioxathiane 2-oxide

Structural Information

Molecular Formula
C4H8O3S
SMILES
CC1CCOS(=O)O1
InChI
InChI=1S/C4H8O3S/c1-4-2-3-6-8(5)7-4/h4H,2-3H2,1H3
InChIKey
WGMZCGUVEQNCCE-UHFFFAOYSA-N
Compound name
4-methyl-1,3,2-dioxathiane 2-oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

206
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 123.2
[M+Na]+ 159.00863 134.5
[M+NH4]+ 154.05323 132.2
[M+K]+ 174.98257 128.4
[M-H]- 135.01213 127.4
[M+Na-2H]- 156.99408 127.0
[M]+ 136.01886 126.4
[M]- 136.01996 126.4
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