CID 7096

1-phenylpiperazine

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

C1CN(CCN1)C2=CC=CC=C2

InChI

InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2

InChIKey

YZTJYBJCZXZGCT-UHFFFAOYSA-N

Compound name

1-phenylpiperazine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 248
References: 17725
Patents: 162.11569 Da
Monoisotopic Mass: 1.1
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]+	163.12297	137.1
[M+Na]+	185.10491	150.1
[M+NH4]+	180.14951	146.2
[M+K]+	201.07885	142.6
[M-H]-	161.10841	140.5
[M+Na-2H]-	183.09036	145.6
[M]+	162.11514	139.8
[M]-	162.11624	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe