CID 292851

3-thiadodecane

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: 145
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	146.7
[M+Na]+	211.14909	156.7
[M+NH4]+	206.19369	155.6
[M+K]+	227.12303	146.6
[M-H]-	187.15259	147.5
[M+Na-2H]-	209.13454	149.6
[M]+	188.15932	148.8
[M]-	188.16042	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe