CID 97910

4,5-dimethyl-1,3,2-dioxathiolane 2-oxide

Structural Information

Molecular Formula
C4H8O3S
SMILES
CC1C(OS(=O)O1)C
InChI
InChI=1S/C4H8O3S/c1-3-4(2)7-8(5)6-3/h3-4H,1-2H3
InChIKey
SAPINXZHMGNTEC-UHFFFAOYSA-N
Compound name
4,5-dimethyl-1,3,2-dioxathiolane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
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 121.9
[M+Na]+ 159.008628 131.7
[M-H]- 135.012134 127.7
[M+NH4]+ 154.053233 144.0
[M+K]+ 174.982568 133.5
[M+H-H2O]+ 119.016670 118.3
[M+HCOO]- 181.017611 139.9
[M+CH3COO]- 195.033261 168.6
[M+Na-2H]- 156.994076 125.7
[M]+ 136.01886142 125.6
[M]- 136.01995858 125.6
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

No patent data available for this compound.