CID 808714

55579-01-6

Structural Information

Molecular Formula

C₁₀H₁₅N₃

SMILES

C1CN(CCN1)CC2=CC=CC=N2

InChI

InChI=1S/C10H15N3/c1-2-4-12-10(3-1)9-13-7-5-11-6-8-13/h1-4,11H,5-9H2

InChIKey

NATRYEXANYVWAW-UHFFFAOYSA-N

Compound name

1-(pyridin-2-ylmethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 566
Patents: 177.1266 Da
Monoisotopic Mass: 0.1
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]+	178.13388	141.5
[M+Na]+	200.11582	154.2
[M+NH4]+	195.16042	149.7
[M+K]+	216.08976	146.9
[M-H]-	176.11932	144.0
[M+Na-2H]-	198.10127	149.5
[M]+	177.12605	143.8
[M]-	177.12715	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe