CID 3872289

2416243-60-0

Structural Information

Molecular Formula

C₉H₁₃N₃

SMILES

C1CNC(CN1)C2=CN=CC=C2

InChI

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

InChIKey

CGUDKJYHYOYXAQ-UHFFFAOYSA-N

Compound name

2-pyridin-3-ylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 163.11095 Da
Monoisotopic Mass: -0.4
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	137.4
[M+Na]+	186.10017	149.8
[M+NH4]+	181.14477	145.4
[M+K]+	202.07411	143.1
[M-H]-	162.10367	139.4
[M+Na-2H]-	184.08562	145.0
[M]+	163.11040	139.5
[M]-	163.11150	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe