CID 3003258

N',n'-dibutylethanedithioamide

Structural Information

Molecular Formula

C₁₀H₂₀N₂S₂

SMILES

CCCCN(CCCC)C(=S)C(=S)N

InChI

InChI=1S/C10H20N2S2/c1-3-5-7-12(8-6-4-2)10(14)9(11)13/h3-8H2,1-2H3,(H2,11,13)

InChIKey

KIMKEGUFQXMORH-UHFFFAOYSA-N

Compound name

N',N'-dibutylethanedithioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 232.1068 Da
Monoisotopic Mass: 2.7
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]+	233.11408	153.8
[M+Na]+	255.09602	157.5
[M-H]-	231.09952	153.8
[M+NH4]+	250.14062	171.8
[M+K]+	271.06996	153.8
[M+H-H2O]+	215.10406	146.8
[M+HCOO]-	277.10500	164.3
[M+CH3COO]-	291.12065	198.6
[M+Na-2H]-	253.08147	150.0
[M]+	232.10625	154.8
[M]-	232.10735	154.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.