CID 197115

9004-83-5

Structural Information

Molecular Formula

C₁₆H₃₄O₂S

SMILES

CC(C)(C)CCCCCCCCSCCOCCO

InChI

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

InChIKey

RPMGCDFPDJACFM-UHFFFAOYSA-N

Compound name

2-[2-(9,9-dimethyldecylsulfanyl)ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4
Patents: 290.22797 Da
Monoisotopic Mass: 5.2
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]+	291.235246	176.7
[M+Na]+	313.217188	179.6
[M-H]-	289.220694	174.0
[M+NH4]+	308.261793	192.6
[M+K]+	329.191128	176.1
[M+H-H2O]+	273.225230	170.6
[M+HCOO]-	335.226171	189.3
[M+CH3COO]-	349.241821	202.0
[M+Na-2H]-	311.202636	175.5
[M]+	290.22742142	184.2
[M]-	290.22851858	184.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe