CID 12090042

Tetra(ethylene glycol) dithiol

Structural Information

Molecular Formula

C₈H₁₈O₃S₂

SMILES

C(COCCS)OCCOCCS

InChI

InChI=1S/C8H18O3S2/c12-7-5-10-3-1-9-2-4-11-6-8-13/h12-13H,1-8H2

InChIKey

MCINHQIUGNVTLG-UHFFFAOYSA-N

Compound name

2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 585
Patents: 226.06973 Da
Monoisotopic Mass: 0.4
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]+	227.07701	147.6
[M+Na]+	249.05895	153.4
[M-H]-	225.06245	147.1
[M+NH4]+	244.10355	166.3
[M+K]+	265.03289	151.2
[M+H-H2O]+	209.06699	141.5
[M+HCOO]-	271.06793	160.1
[M+CH3COO]-	285.08358	187.8
[M+Na-2H]-	247.04440	147.8
[M]+	226.06918	156.4
[M]-	226.07028	156.4

Literature stripe

literature stripe

Patent stripe

patents stripe