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

literature stripe

Patent stripe

patents stripe