CID 118758

Di-tert-pentyl disulphide

Structural Information

Molecular Formula

C₁₀H₂₂S₂

SMILES

CCC(C)(C)SSC(C)(C)CC

InChI

InChI=1S/C10H22S2/c1-7-9(3,4)11-12-10(5,6)8-2/h7-8H2,1-6H3

InChIKey

OGTZMPFMCIZSIB-UHFFFAOYSA-N

Compound name

2-methyl-2-(2-methylbutan-2-yldisulfanyl)butane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 132
Patents: 206.11629 Da
Monoisotopic Mass: 3.9
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	147.6
[M+Na]+	229.105508	153.7
[M-H]-	205.109014	147.5
[M+NH4]+	224.150113	167.6
[M+K]+	245.079448	150.7
[M+H-H2O]+	189.113550	142.7
[M+HCOO]-	251.114491	155.9
[M+CH3COO]-	265.130141	188.9
[M+Na-2H]-	227.090956	147.9
[M]+	206.11574142	152.0
[M]-	206.11683858	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe