CID 8191

112-51-6

Structural Information

Molecular Formula

C₁₀H₂₂S₂

SMILES

CCCCCSSCCCCC

InChI

InChI=1S/C10H22S2/c1-3-5-7-9-11-12-10-8-6-4-2/h3-10H2,1-2H3

InChIKey

YSQZSPCQDXHJDJ-UHFFFAOYSA-N

Compound name

1-(pentyldisulfanyl)pentane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2684
Patents: 206.11629 Da
Monoisotopic Mass: 4.5
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]+	207.123566	145.0
[M+Na]+	229.105508	150.6
[M-H]-	205.109014	144.5
[M+NH4]+	224.150113	164.9
[M+K]+	245.079448	146.8
[M+H-H2O]+	189.113550	139.3
[M+HCOO]-	251.114491	156.1
[M+CH3COO]-	265.130141	188.2
[M+Na-2H]-	227.090956	143.9
[M]+	206.11574142	150.4
[M]-	206.11683858	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe