CID 44819

63834-52-6

Structural Information

Molecular Formula

C₁₀H₂₄N₂S₂

SMILES

C(CCCNCCS)CCNCCS

InChI

InChI=1S/C10H24N2S2/c13-9-7-11-5-3-1-2-4-6-12-8-10-14/h11-14H,1-10H2

InChIKey

OQKAJPIRPPBWBF-UHFFFAOYSA-N

Compound name

2-[6-(2-sulfanylethylamino)hexylamino]ethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.13809 Da
Monoisotopic Mass: 1.4
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]+	237.14537	151.3
[M+Na]+	259.12731	154.8
[M-H]-	235.13081	150.0
[M+NH4]+	254.17191	168.9
[M+K]+	275.10125	150.3
[M+H-H2O]+	219.13535	144.2
[M+HCOO]-	281.13629	163.9
[M+CH3COO]-	295.15194	197.4
[M+Na-2H]-	257.11276	151.3
[M]+	236.13754	154.7
[M]-	236.13864	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.