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

25
Patents

137.99867 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.00595 121.5
[M+Na]+ 160.98789 130.3
[M-H]- 136.99139 125.7
[M+NH4]+ 156.03249 142.4
[M+K]+ 176.96183 131.8
[M+H-H2O]+ 120.99593 117.8
[M+HCOO]- 182.99687 138.6
[M+CH3COO]- 197.01252 163.9
[M+Na-2H]- 158.97334 126.2
[M]+ 137.99812 124.1
[M]- 137.99922 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