CID 23116495

Diethyl({2-[(2-methoxyethyl)amino]ethyl})amine

Structural Information

Molecular Formula

C₉H₂₂N₂O

SMILES

CCN(CC)CCNCCOC

InChI

InChI=1S/C9H22N2O/c1-4-11(5-2)8-6-10-7-9-12-3/h10H,4-9H2,1-3H3

InChIKey

VHNKYJGEDZBFET-UHFFFAOYSA-N

Compound name

N',N'-diethyl-N-(2-methoxyethyl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 174.17322 Da
Monoisotopic Mass: 0.4
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]+	175.18050	143.8
[M+Na]+	197.16244	148.1
[M-H]-	173.16594	144.8
[M+NH4]+	192.20704	164.2
[M+K]+	213.13638	148.9
[M+H-H2O]+	157.17048	137.5
[M+HCOO]-	219.17142	169.3
[M+CH3COO]-	233.18707	191.5
[M+Na-2H]-	195.14789	148.8
[M]+	174.17267	147.3
[M]-	174.17377	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe