CID 156975

1-[(pyridin-3-yl)methyl]piperazine

Structural Information

Molecular Formula

C₁₀H₁₅N₃

SMILES

C1CN(CCN1)CC2=CN=CC=C2

InChI

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

InChIKey

UNGUQQBXDOAOQO-UHFFFAOYSA-N

Compound name

1-(pyridin-3-ylmethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 387
Patents: 177.1266 Da
Monoisotopic Mass: -0.2
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	140.9
[M+Na]+	200.11582	145.7
[M-H]-	176.11932	140.8
[M+NH4]+	195.16042	155.5
[M+K]+	216.08976	142.0
[M+H-H2O]+	160.12386	131.5
[M+HCOO]-	222.12480	156.7
[M+CH3COO]-	236.14045	151.1
[M+Na-2H]-	198.10127	147.6
[M]+	177.12605	133.9
[M]-	177.12715	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe