CID 4742503

2-(4-phenylpiperazin-1-yl)ethan-1-amine

Structural Information

Molecular Formula

C₁₂H₁₉N₃

SMILES

C1CN(CCN1CCN)C2=CC=CC=C2

InChI

InChI=1S/C12H19N3/c13-6-7-14-8-10-15(11-9-14)12-4-2-1-3-5-12/h1-5H,6-11,13H2

InChIKey

JQIZYQKCPLKROQ-UHFFFAOYSA-N

Compound name

2-(4-phenylpiperazin-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 154
Patents: 205.1579 Da
Monoisotopic Mass: 0.9
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]+	206.16518	148.6
[M+Na]+	228.14712	153.1
[M-H]-	204.15062	150.9
[M+NH4]+	223.19172	163.9
[M+K]+	244.12106	149.4
[M+H-H2O]+	188.15516	139.4
[M+HCOO]-	250.15610	167.0
[M+CH3COO]-	264.17175	187.7
[M+Na-2H]-	226.13257	153.4
[M]+	205.15735	142.3
[M]-	205.15845	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe