CID 79214

1-phenethylpiperazine

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

C1CN(CCN1)CCC2=CC=CC=C2

InChI

InChI=1S/C12H18N2/c1-2-4-12(5-3-1)6-9-14-10-7-13-8-11-14/h1-5,13H,6-11H2

InChIKey

LKUAPSRIYZLAAO-UHFFFAOYSA-N

Compound name

1-(2-phenylethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1485
Patents: 190.147 Da
Monoisotopic Mass: 1.6
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]+	191.15428	146.1
[M+Na]+	213.13622	158.7
[M+NH4]+	208.18082	154.9
[M+K]+	229.11016	150.7
[M-H]-	189.13972	149.4
[M+Na-2H]-	211.12167	154.1
[M]+	190.14645	148.7
[M]-	190.14755	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe