CID 20622991

2-(1,1-dioxidotetrahydro-3-thienyl)ethanol

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	165.05800	134.1
[M+Na]+	187.03994	142.7
[M+NH4]+	182.08454	143.4
[M+K]+	203.01388	136.0
[M-H]-	163.04344	133.9
[M+Na-2H]-	185.02539	138.0
[M]+	164.05017	135.5
[M]-	164.05127	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe