CID 3082180

72891-32-8

Structural Information

Molecular Formula

C₆H₁₆N₂S₂

SMILES

C(CSCCSCCN)N

InChI

InChI=1S/C6H16N2S2/c7-1-3-9-5-6-10-4-2-8/h1-8H2

InChIKey

JFODQDKKGQHJBB-UHFFFAOYSA-N

Compound name

2-[2-(2-aminoethylsulfanyl)ethylsulfanyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 133
Patents: 180.07549 Da
Monoisotopic Mass: -0.4
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]+	181.08277	134.9
[M+Na]+	203.06471	140.2
[M-H]-	179.06821	133.3
[M+NH4]+	198.10931	154.2
[M+K]+	219.03865	135.8
[M+H-H2O]+	163.07275	128.6
[M+HCOO]-	225.07369	147.5
[M+CH3COO]-	239.08934	184.3
[M+Na-2H]-	201.05016	134.8
[M]+	180.07494	135.0
[M]-	180.07604	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe