CID 11008102

106757-36-2

Structural Information

Molecular Formula
C4H8O4S
SMILES
C[C@@H]1[C@H](OS(=O)(=O)O1)C
InChI
InChI=1S/C4H8O4S/c1-3-4(2)8-9(5,6)7-3/h3-4H,1-2H3/t3-,4-/m1/s1
InChIKey
POVNYOLUWDFQOZ-QWWZWVQMSA-N
Compound name
(4R,5R)-4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

152.01433 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02161 121.5
[M+Na]+ 175.00355 132.2
[M-H]- 151.00705 127.6
[M+NH4]+ 170.04815 144.8
[M+K]+ 190.97749 134.1
[M+H-H2O]+ 135.01159 119.0
[M+HCOO]- 197.01253 139.9
[M+CH3COO]- 211.02818 169.5
[M+Na-2H]- 172.98900 127.3
[M]+ 152.01378 126.4
[M]- 152.01488 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