CID 250673

2-phenylpiperazine

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

C1CNC(CN1)C2=CC=CC=C2

InChI

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

InChIKey

RIMRLBGNCLMSNH-UHFFFAOYSA-N

Compound name

2-phenylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1607
Patents: 162.11569 Da
Monoisotopic Mass: 0.7
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]+	163.122966	136.5
[M+Na]+	185.104908	140.9
[M-H]-	161.108414	136.6
[M+NH4]+	180.149513	152.4
[M+K]+	201.078848	136.4
[M+H-H2O]+	145.112950	128.5
[M+HCOO]-	207.113891	152.2
[M+CH3COO]-	221.129541	146.9
[M+Na-2H]-	183.090356	142.8
[M]+	162.11514142	127.1
[M]-	162.11623858	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe