CID 549702

Dicyclopentyl sulfide

Structural Information

Molecular Formula

C₁₀H₁₈S

SMILES

C1CCC(C1)SC2CCCC2

InChI

InChI=1S/C10H18S/c1-2-6-9(5-1)11-10-7-3-4-8-10/h9-10H,1-8H2

InChIKey

MSXKFSFICXVOAJ-UHFFFAOYSA-N

Compound name

cyclopentylsulfanylcyclopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 332
Patents: 170.11292 Da
Monoisotopic Mass: 3.4
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]+	171.120196	142.0
[M+Na]+	193.102138	147.0
[M-H]-	169.105644	148.0
[M+NH4]+	188.146743	166.2
[M+K]+	209.076078	145.3
[M+H-H2O]+	153.110180	136.7
[M+HCOO]-	215.111121	158.5
[M+CH3COO]-	229.126771	154.6
[M+Na-2H]-	191.087586	139.8
[M]+	170.11237142	138.3
[M]-	170.11346858	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe