CID 13799117

(3-amino-3-phenylpropyl)diethylamine

Structural Information

Molecular Formula

C₁₃H₂₂N₂

SMILES

CCN(CC)CCC(C1=CC=CC=C1)N

InChI

InChI=1S/C13H22N2/c1-3-15(4-2)11-10-13(14)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,14H2,1-2H3

InChIKey

KSAIKFIIHCKXGT-UHFFFAOYSA-N

Compound name

N',N'-diethyl-1-phenylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 206.1783 Da
Monoisotopic Mass: 1.9
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]+	207.18558	151.8
[M+Na]+	229.16752	155.6
[M-H]-	205.17102	155.4
[M+NH4]+	224.21212	170.4
[M+K]+	245.14146	154.2
[M+H-H2O]+	189.17556	144.5
[M+HCOO]-	251.17650	175.9
[M+CH3COO]-	265.19215	196.9
[M+Na-2H]-	227.15297	155.2
[M]+	206.17775	151.2
[M]-	206.17885	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe