CID 20239

4246-51-9

Structural Information

Molecular Formula

C₁₀H₂₄N₂O₃

SMILES

C(CN)COCCOCCOCCCN

InChI

InChI=1S/C10H24N2O3/c11-3-1-5-13-7-9-15-10-8-14-6-2-4-12/h1-12H2

InChIKey

JCEZOHLWDIONSP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 9871
Patents: 220.1787 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]+	221.18598	152.1
[M+Na]+	243.16792	158.1
[M+NH4]+	238.21252	157.6
[M+K]+	259.14186	153.2
[M-H]-	219.17142	151.0
[M+Na-2H]-	241.15337	153.2
[M]+	220.17815	152.0
[M]-	220.17925	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe