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

1
Annotation Hits: 1
References: 2758
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]+	207.12357	145.0
[M+Na]+	229.10551	150.6
[M-H]-	205.10901	144.5
[M+NH4]+	224.15011	164.9
[M+K]+	245.07945	146.8
[M+H-H2O]+	189.11355	139.3
[M+HCOO]-	251.11449	156.1
[M+CH3COO]-	265.13014	188.2
[M+Na-2H]-	227.09096	143.9
[M]+	206.11574	150.4
[M]-	206.11684	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe