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

235
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 121.4
[M+Na]+ 159.00863 129.3
[M-H]- 135.01213 126.7
[M+NH4]+ 154.05323 141.3
[M+K]+ 174.98257 131.1
[M+H-H2O]+ 119.01667 116.8
[M+HCOO]- 181.01761 137.4
[M+CH3COO]- 195.03326 167.7
[M+Na-2H]- 156.99408 127.3
[M]+ 136.01886 122.6
[M]- 136.01996 122.6
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