CID 94785

44860-68-6

Structural Information

Molecular Formula

C₅H₁₂O₂S₂

SMILES

C(CSCSCCO)O

InChI

InChI=1S/C5H12O2S2/c6-1-3-8-5-9-4-2-7/h6-7H,1-5H2

InChIKey

GAECBAMNQFGJIM-UHFFFAOYSA-N

Compound name

2-(2-hydroxyethylsulfanylmethylsulfanyl)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 287
Patents: 168.02788 Da
Monoisotopic Mass: 0.1
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]+	169.03516	132.9
[M+Na]+	191.01710	141.0
[M+NH4]+	186.06170	141.0
[M+K]+	206.99104	132.4
[M-H]-	167.02060	131.9
[M+Na-2H]-	189.00255	134.1
[M]+	168.02733	134.5
[M]-	168.02843	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe