CID 223140

5400-84-0

Structural Information

Molecular Formula

C₉H₂₀O₂S₂

SMILES

C(CCSCCO)CCSCCO

InChI

InChI=1S/C9H20O2S2/c10-4-8-12-6-2-1-3-7-13-9-5-11/h10-11H,1-9H2

InChIKey

OUUXMGPVGBYKHB-UHFFFAOYSA-N

Compound name

2-[5-(2-hydroxyethylsulfanyl)pentylsulfanyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 224.09047 Da
Monoisotopic Mass: 1.2
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]+	225.09775	149.2
[M+Na]+	247.07969	156.6
[M+NH4]+	242.12429	156.7
[M+K]+	263.05363	147.1
[M-H]-	223.08319	148.1
[M+Na-2H]-	245.06514	149.5
[M]+	224.08992	150.6
[M]-	224.09102	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe