CID 76342

1-propanamine, 3,3'-[1,2-ethanediylbis(oxy)]bis-

Structural Information

Molecular Formula

C₈H₂₀N₂O₂

SMILES

C(CN)COCCOCCCN

InChI

InChI=1S/C8H20N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-10H2

InChIKey

POTQBGGWSWSMCX-UHFFFAOYSA-N

Compound name

3-[2-(3-aminopropoxy)ethoxy]propan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 8122
Patents: 176.15248 Da
Monoisotopic Mass: -1.2
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]+	177.15976	141.1
[M+Na]+	199.14170	145.6
[M-H]-	175.14520	139.7
[M+NH4]+	194.18630	160.2
[M+K]+	215.11564	145.0
[M+H-H2O]+	159.14974	134.9
[M+HCOO]-	221.15068	165.5
[M+CH3COO]-	235.16633	185.7
[M+Na-2H]-	197.12715	145.4
[M]+	176.15193	142.3
[M]-	176.15303	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe