CID 217547

N,n'-dithiodiethylenedicyclopentanehexylamine dihydrochloride

Structural Information

Molecular Formula

C₂₆H₅₂N₂S₂

SMILES

C1CCC(C1)CCCCCCNCCSSCCNCCCCCCC2CCCC2

InChI

InChI=1S/C26H52N2S2/c1(5-13-25-15-7-8-16-25)3-11-19-27-21-23-29-30-24-22-28-20-12-4-2-6-14-26-17-9-10-18-26/h25-28H,1-24H2

InChIKey

FEIJTJHULGHJHQ-UHFFFAOYSA-N

Compound name

6-cyclopentyl-N-[2-[2-(6-cyclopentylhexylamino)ethyldisulfanyl]ethyl]hexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 456.35718 Da
Monoisotopic Mass: 9.1
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]+	457.364456	211.9
[M+Na]+	479.346398	208.8
[M-H]-	455.349904	214.0
[M+NH4]+	474.391003	224.1
[M+K]+	495.320338	201.8
[M+H-H2O]+	439.354440	203.2
[M+HCOO]-	501.355381	219.8
[M+CH3COO]-	515.371031	236.1
[M+Na-2H]-	477.331846	203.5
[M]+	456.35663142	213.5
[M]-	456.35772858	213.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.