CID 20622991

89791-51-5

Structural Information

Molecular Formula
C6H12O3S
SMILES
C1CS(=O)(=O)CC1CCO
InChI
InChI=1S/C6H12O3S/c7-3-1-6-2-4-10(8,9)5-6/h6-7H,1-5H2
InChIKey
VTZBGOGKRKZJJY-UHFFFAOYSA-N
Compound name
2-(1,1-dioxothiolan-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

164.05072 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.05800 131.4
[M+Na]+ 187.03994 139.9
[M-H]- 163.04344 134.0
[M+NH4]+ 182.08454 155.7
[M+K]+ 203.01388 138.0
[M+H-H2O]+ 147.04798 128.0
[M+HCOO]- 209.04892 148.9
[M+CH3COO]- 223.06457 169.5
[M+Na-2H]- 185.02539 134.0
[M]+ 164.05017 132.2
[M]- 164.05127 132.2
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