CID 70517

1-(4-pyridyl)piperazine

Structural Information

Molecular Formula

C₉H₁₃N₃

SMILES

C1CN(CCN1)C2=CC=NC=C2

InChI

InChI=1S/C9H13N3/c1-3-10-4-2-9(1)12-7-5-11-6-8-12/h1-4,11H,5-8H2

InChIKey

OQZBAQXTXNIPRA-UHFFFAOYSA-N

Compound name

1-pyridin-4-ylpiperazine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 2636
Patents: 163.11095 Da
Monoisotopic Mass: 0.3
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]+	164.118226	136.5
[M+Na]+	186.100168	141.8
[M-H]-	162.103674	136.6
[M+NH4]+	181.144773	151.7
[M+K]+	202.074108	138.3
[M+H-H2O]+	146.108210	127.4
[M+HCOO]-	208.109151	152.6
[M+CH3COO]-	222.124801	147.2
[M+Na-2H]-	184.085616	143.8
[M]+	163.11040142	129.1
[M]-	163.11149858	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe