CID 106642

N1-(3-methoxypropyl)-1,3-propanediamine

Structural Information

Molecular Formula

C₇H₁₈N₂O

SMILES

COCCCNCCCN

InChI

InChI=1S/C7H18N2O/c1-10-7-3-6-9-5-2-4-8/h9H,2-8H2,1H3

InChIKey

LLRMJSJSADDGPK-UHFFFAOYSA-N

Compound name

N'-(3-methoxypropyl)propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 146.1419 Da
Monoisotopic Mass: -0.6
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]+	147.149176	134.0
[M+Na]+	169.131118	139.0
[M-H]-	145.134624	133.4
[M+NH4]+	164.175723	154.7
[M+K]+	185.105058	138.6
[M+H-H2O]+	129.139160	128.3
[M+HCOO]-	191.140101	159.1
[M+CH3COO]-	205.155751	181.2
[M+Na-2H]-	167.116566	139.9
[M]+	146.14135142	134.5
[M]-	146.14244858	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe