CID 28485

1072-11-3

Structural Information

Molecular Formula

C₈H₂₀N₂S₂

SMILES

CN(C)CCSSCCN(C)C

InChI

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

InChIKey

BAEWLQWSDPXZDM-UHFFFAOYSA-N

Compound name

2-[2-(dimethylamino)ethyldisulfanyl]-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 372
Patents: 208.1068 Da
Monoisotopic Mass: 1.0
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]+	209.114076	145.9
[M+Na]+	231.096018	150.5
[M-H]-	207.099524	148.1
[M+NH4]+	226.140623	166.0
[M+K]+	247.069958	149.4
[M+H-H2O]+	191.104060	138.7
[M+HCOO]-	253.105001	159.8
[M+CH3COO]-	267.120651	198.4
[M+Na-2H]-	229.081466	145.4
[M]+	208.10625142	151.2
[M]-	208.10734858	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe