CID 437234

1-(pyridin-3-yl)piperazine

Structural Information

Molecular Formula

C₉H₁₃N₃

SMILES

C1CN(CCN1)C2=CN=CC=C2

InChI

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

InChIKey

DNDJHEWLYGJJCY-UHFFFAOYSA-N

Compound name

1-pyridin-3-ylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1064
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]+	164.11823	137.0
[M+Na]+	186.10017	150.0
[M+NH4]+	181.14477	145.4
[M+K]+	202.07411	142.9
[M-H]-	162.10367	139.5
[M+Na-2H]-	184.08562	145.3
[M]+	163.11040	139.4
[M]-	163.11150	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe