CID 73835

Ethanol, 2-(dodecylthio)-

Structural Information

Molecular Formula

C₁₄H₃₀OS

SMILES

CCCCCCCCCCCCSCCO

InChI

InChI=1S/C14H30OS/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h15H,2-14H2,1H3

InChIKey

ZPIRWAHWDCHWLM-UHFFFAOYSA-N

Compound name

2-dodecylsulfanylethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7519
Patents: 246.20174 Da
Monoisotopic Mass: 5.8
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]+	247.209016	163.1
[M+Na]+	269.190958	166.5
[M-H]-	245.194464	160.6
[M+NH4]+	264.235563	180.6
[M+K]+	285.164898	162.7
[M+H-H2O]+	229.199000	157.0
[M+HCOO]-	291.199941	177.6
[M+CH3COO]-	305.215591	194.5
[M+Na-2H]-	267.176406	162.1
[M]+	246.20119142	169.0
[M]-	246.20228858	169.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe