CID 77288

Ethyl octyl sulfide

Structural Information

Molecular Formula

C₁₀H₂₂S

SMILES

CCCCCCCCSCC

InChI

InChI=1S/C10H22S/c1-3-5-6-7-8-9-10-11-4-2/h3-10H2,1-2H3

InChIKey

WAITXWGCJQLPGH-UHFFFAOYSA-N

Compound name

1-ethylsulfanyloctane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 493
Patents: 174.14423 Da
Monoisotopic Mass: 4.7
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]+	175.15151	142.4
[M+Na]+	197.13345	152.5
[M+NH4]+	192.17805	151.5
[M+K]+	213.10739	142.7
[M-H]-	173.13695	143.2
[M+Na-2H]-	195.11890	145.6
[M]+	174.14368	144.5
[M]-	174.14478	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe