CID 139950

N,n'-dithiobisdiethylamine

Structural Information

Molecular Formula

C₈H₂₀N₂S₂

SMILES

CCN(CC)SSN(CC)CC

InChI

InChI=1S/C8H20N2S2/c1-5-9(6-2)11-12-10(7-3)8-4/h5-8H2,1-4H3

InChIKey

REOGMQUIPSUVSU-UHFFFAOYSA-N

Compound name

N-(diethylaminodisulfanyl)-N-ethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 41
Patents: 208.1068 Da
Monoisotopic Mass: 2.8
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]+	209.11408	145.9
[M+Na]+	231.09602	150.5
[M-H]-	207.09952	148.1
[M+NH4]+	226.14062	166.0
[M+K]+	247.06996	149.4
[M+H-H2O]+	191.10406	138.7
[M+HCOO]-	253.10500	159.8
[M+CH3COO]-	267.12065	198.4
[M+Na-2H]-	229.08147	145.4
[M]+	208.10625	151.2
[M]-	208.10735	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe