CID 10088464

1035373-85-3

Structural Information

Molecular Formula

C₁₀H₂₂ClNO₂

SMILES

C(CCCCl)CCOCCOCCN

InChI

InChI=1S/C10H22ClNO2/c11-5-3-1-2-4-7-13-9-10-14-8-6-12/h1-10,12H2

InChIKey

ABAUJBZQEHFSKW-UHFFFAOYSA-N

Compound name

2-[2-(6-chlorohexoxy)ethoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 293
Patents: 223.13391 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]+	224.14119	152.8
[M+Na]+	246.12313	158.2
[M-H]-	222.12663	151.5
[M+NH4]+	241.16773	171.5
[M+K]+	262.09707	155.2
[M+H-H2O]+	206.13117	147.7
[M+HCOO]-	268.13211	171.6
[M+CH3COO]-	282.14776	191.2
[M+Na-2H]-	244.10858	156.4
[M]+	223.13336	158.4
[M]-	223.13446	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe