CID 2749887

31748-68-2

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

C1=CC(=CC=C1CCN)CCN

InChI

InChI=1S/C10H16N2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h1-4H,5-8,11-12H2

InChIKey

FVHFDNYRMIWPRS-UHFFFAOYSA-N

Compound name

2-[4-(2-aminoethyl)phenyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 814
Patents: 164.13135 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]+	165.13863	136.8
[M+Na]+	187.12057	143.0
[M-H]-	163.12407	139.3
[M+NH4]+	182.16517	156.6
[M+K]+	203.09451	140.0
[M+H-H2O]+	147.12861	130.5
[M+HCOO]-	209.12955	161.8
[M+CH3COO]-	223.14520	183.9
[M+Na-2H]-	185.10602	142.2
[M]+	164.13080	133.9
[M]-	164.13190	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe