CID 569272

7426-02-0

Structural Information

Molecular Formula

C₈H₁₈O₃S₂

SMILES

C(CSCCOCCSCCO)O

InChI

InChI=1S/C8H18O3S2/c9-1-5-12-7-3-11-4-8-13-6-2-10/h9-10H,1-8H2

InChIKey

SYLONGMLAHNVOC-UHFFFAOYSA-N

Compound name

2-[2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethylsulfanyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 38
Patents: 226.06973 Da
Monoisotopic Mass: 0.0
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	148.4
[M+Na]+	249.05895	155.4
[M+NH4]+	244.10355	155.4
[M+K]+	265.03289	146.7
[M-H]-	225.06245	146.7
[M+Na-2H]-	247.04440	148.5
[M]+	226.06918	149.5
[M]-	226.07028	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe