CID 292851

Ethyl nonyl sulfide

Structural Information

Molecular Formula

C₁₁H₂₄S

SMILES

CCCCCCCCCSCC

InChI

InChI=1S/C11H24S/c1-3-5-6-7-8-9-10-11-12-4-2/h3-11H2,1-2H3

InChIKey

LUAABLIRQSWMGZ-UHFFFAOYSA-N

Compound name

1-ethylsulfanylnonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 166
Patents: 188.15987 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]+	189.16715	146.1
[M+Na]+	211.14909	151.4
[M-H]-	187.15259	145.8
[M+NH4]+	206.19369	166.8
[M+K]+	227.12303	149.0
[M+H-H2O]+	171.15713	140.6
[M+HCOO]-	233.15807	162.8
[M+CH3COO]-	247.17372	186.5
[M+Na-2H]-	209.13454	147.0
[M]+	188.15932	151.4
[M]-	188.16042	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe