CID 545381

2,2,7,7-tetramethyl-3,6-dithiaoctane

Structural Information

Molecular Formula

C₁₀H₂₂S₂

SMILES

CC(C)(C)SCCSC(C)(C)C

InChI

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

InChIKey

HPSWXOHTKYJSJJ-UHFFFAOYSA-N

Compound name

2-(2-tert-butylsulfanylethylsulfanyl)-2-methylpropane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 131
Patents: 206.11629 Da
Monoisotopic Mass: 3.5
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	147.9
[M+Na]+	229.105508	154.2
[M-H]-	205.109014	147.9
[M+NH4]+	224.150113	168.1
[M+K]+	245.079448	151.2
[M+H-H2O]+	189.113550	143.0
[M+HCOO]-	251.114491	156.2
[M+CH3COO]-	265.130141	187.6
[M+Na-2H]-	227.090956	148.2
[M]+	206.11574142	152.1
[M]-	206.11683858	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe