CID 61574

2-(2-dodecylsulfanylethoxy)ethanol

Structural Information

Molecular Formula

C₁₆H₃₄O₂S

SMILES

CCCCCCCCCCCCSCCOCCO

InChI

InChI=1S/C16H34O2S/c1-2-3-4-5-6-7-8-9-10-11-15-19-16-14-18-13-12-17/h17H,2-16H2,1H3

InChIKey

BXSSNHYHHLFNAV-UHFFFAOYSA-N

Compound name

2-(2-dodecylsulfanylethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 10
References: 1
Patents: 290.22797 Da
Monoisotopic Mass: 5.6
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]+	291.23525	175.0
[M+Na]+	313.21719	177.4
[M-H]-	289.22069	171.9
[M+NH4]+	308.26179	190.6
[M+K]+	329.19113	173.5
[M+H-H2O]+	273.22523	168.2
[M+HCOO]-	335.22617	189.0
[M+CH3COO]-	349.24182	202.2
[M+Na-2H]-	311.20264	173.0
[M]+	290.22742	183.0
[M]-	290.22852	183.0

Literature stripe

literature stripe

Patent stripe

patents stripe