CID 74915

Diisoamyl disulfide

Structural Information

Molecular Formula

C₁₀H₂₂S₂

SMILES

CC(C)CCSSCCC(C)C

InChI

InChI=1S/C10H22S2/c1-9(2)5-7-11-12-8-6-10(3)4/h9-10H,5-8H2,1-4H3

InChIKey

MPYGLNNTOXLWOB-UHFFFAOYSA-N

Compound name

3-methyl-1-(3-methylbutyldisulfanyl)butane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 285
Patents: 206.11629 Da
Monoisotopic Mass: 4.3
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	146.1
[M+Na]+	229.105508	150.9
[M-H]-	205.109014	145.7
[M+NH4]+	224.150113	165.8
[M+K]+	245.079448	148.1
[M+H-H2O]+	189.113550	140.4
[M+HCOO]-	251.114491	154.9
[M+CH3COO]-	265.130141	189.7
[M+Na-2H]-	227.090956	143.0
[M]+	206.11574142	150.3
[M]-	206.11683858	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe