CID 10465720

Thiol-peg4-alcohol

Structural Information

Molecular Formula

C₈H₁₈O₄S

SMILES

C(COCCOCCOCCS)O

InChI

InChI=1S/C8H18O4S/c9-1-2-10-3-4-11-5-6-12-7-8-13/h9,13H,1-8H2

InChIKey

GKKYNULPAQDGHI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 210.09258 Da
Monoisotopic Mass: -0.6
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]+	211.09986	146.6
[M+Na]+	233.08180	154.6
[M+NH4]+	228.12640	153.3
[M+K]+	249.05574	147.6
[M-H]-	209.08530	144.7
[M+Na-2H]-	231.06725	147.8
[M]+	210.09203	147.4
[M]-	210.09313	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe