CID 53705917

(2-amino-2-phenylethyl)(ethyl)amine

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

CCNCC(C1=CC=CC=C1)N

InChI

InChI=1S/C10H16N2/c1-2-12-8-10(11)9-6-4-3-5-7-9/h3-7,10,12H,2,8,11H2,1H3

InChIKey

BXEFXICITKYXKB-UHFFFAOYSA-N

Compound name

N'-ethyl-1-phenylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 164.13135 Da
Monoisotopic Mass: 0.8
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]+	165.138626	137.3
[M+Na]+	187.120568	142.3
[M-H]-	163.124074	140.1
[M+NH4]+	182.165173	157.0
[M+K]+	203.094508	140.2
[M+H-H2O]+	147.128610	130.8
[M+HCOO]-	209.129551	162.0
[M+CH3COO]-	223.145201	184.3
[M+Na-2H]-	185.106016	143.3
[M]+	164.13080142	134.4
[M]-	164.13189858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe