CID 132351222

2137780-70-0

Structural Information

Molecular Formula

C₇H₁₄O₄S

SMILES

C1CS(=O)(=O)CCC1OCCO

InChI

InChI=1S/C7H14O4S/c8-3-4-11-7-1-5-12(9,10)6-2-7/h7-8H,1-6H2

InChIKey

MZQUSTJXYYBJOE-UHFFFAOYSA-N

Compound name

2-(1,1-dioxothian-4-yl)oxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.06128 Da
Monoisotopic Mass: -0.7
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]+	195.06856	139.7
[M+Na]+	217.05050	148.6
[M+NH4]+	212.09510	148.5
[M+K]+	233.02444	140.4
[M-H]-	193.05400	139.6
[M+Na-2H]-	215.03595	144.1
[M]+	194.06073	141.2
[M]-	194.06183	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.