CID 117173

1,3,2-dioxathiolane-4-methanol 2-oxide

Structural Information

Molecular Formula
C3H6O4S
SMILES
C1C(OS(=O)O1)CO
InChI
InChI=1S/C3H6O4S/c4-1-3-2-6-8(5)7-3/h3-4H,1-2H2
InChIKey
WIPAUXGFNHDOOK-UHFFFAOYSA-N
Compound name
(2-oxo-1,3,2-dioxathiolan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

137.99867 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.005946 121.5
[M+Na]+ 160.987888 130.3
[M-H]- 136.991394 125.7
[M+NH4]+ 156.032493 142.4
[M+K]+ 176.961828 131.8
[M+H-H2O]+ 120.995930 117.8
[M+HCOO]- 182.996871 138.6
[M+CH3COO]- 197.012521 163.9
[M+Na-2H]- 158.973336 126.2
[M]+ 137.99812142 124.1
[M]- 137.99921858 124.1
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