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
3
Annotation Hits

0
References

178
Patents

136.01941 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.026686 121.4
[M+Na]+ 159.008628 129.3
[M-H]- 135.012134 126.7
[M+NH4]+ 154.053233 141.3
[M+K]+ 174.982568 131.1
[M+H-H2O]+ 119.016670 116.8
[M+HCOO]- 181.017611 137.4
[M+CH3COO]- 195.033261 167.7
[M+Na-2H]- 156.994076 127.3
[M]+ 136.01886142 122.6
[M]- 136.01995858 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