CID 28387859

(3-aminopropyl)(2-methoxyethyl)methylamine

Structural Information

Molecular Formula

C₇H₁₈N₂O

SMILES

CN(CCCN)CCOC

InChI

InChI=1S/C7H18N2O/c1-9(5-3-4-8)6-7-10-2/h3-8H2,1-2H3

InChIKey

HKXOLSWLDQZOTG-UHFFFAOYSA-N

Compound name

N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 146.1419 Da
Monoisotopic Mass: -0.5
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]+	147.14918	134.9
[M+Na]+	169.13112	140.1
[M-H]-	145.13462	135.8
[M+NH4]+	164.17572	156.2
[M+K]+	185.10506	141.0
[M+H-H2O]+	129.13916	129.0
[M+HCOO]-	191.14010	160.4
[M+CH3COO]-	205.15575	184.7
[M+Na-2H]-	167.11657	139.9
[M]+	146.14135	136.5
[M]-	146.14245	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe