CID 169800

Ethanol, 2,2'-[oxybis(methylenethio)]bis-

Structural Information

Molecular Formula

C₆H₁₄O₃S₂

SMILES

C(CSCOCSCCO)O

InChI

InChI=1S/C6H14O3S2/c7-1-3-10-5-9-6-11-4-2-8/h7-8H,1-6H2

InChIKey

QGECTPPOVMJXOX-UHFFFAOYSA-N

Compound name

2-(2-hydroxyethylsulfanylmethoxymethylsulfanyl)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 11
Patents: 198.03844 Da
Monoisotopic Mass: 0.2
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]+	199.04572	139.2
[M+Na]+	221.02766	144.9
[M-H]-	197.03116	136.1
[M+NH4]+	216.07226	157.5
[M+K]+	237.00160	141.2
[M+H-H2O]+	181.03570	133.9
[M+HCOO]-	243.03664	149.2
[M+CH3COO]-	257.05229	176.7
[M+Na-2H]-	219.01311	139.6
[M]+	198.03789	143.5
[M]-	198.03899	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe