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: 82
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]+	147.14918	133.0
[M+Na]+	169.13112	141.0
[M+NH4]+	164.17572	140.4
[M+K]+	185.10506	135.4
[M-H]-	145.13462	133.3
[M+Na-2H]-	167.11657	136.3
[M]+	146.14135	133.8
[M]-	146.14245	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe