CID 21865017

1-(pyridin-2-yl)piperazin-2-one

Structural Information

Molecular Formula

C₉H₁₁N₃O

SMILES

C1CN(C(=O)CN1)C2=CC=CC=N2

InChI

InChI=1S/C9H11N3O/c13-9-7-10-5-6-12(9)8-3-1-2-4-11-8/h1-4,10H,5-7H2

InChIKey

YAXQKAGUVNHYNL-UHFFFAOYSA-N

Compound name

1-pyridin-2-ylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 177.09021 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]+	178.097486	139.0
[M+Na]+	200.079428	145.5
[M-H]-	176.082934	139.6
[M+NH4]+	195.124033	153.8
[M+K]+	216.053368	141.8
[M+H-H2O]+	160.087470	130.0
[M+HCOO]-	222.088411	155.6
[M+CH3COO]-	236.104061	150.0
[M+Na-2H]-	198.064876	145.5
[M]+	177.08966142	132.8
[M]-	177.09075858	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe