CID 13843024

1-phenylpiperazin-2-one

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

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

InChI

InChI=1S/C10H12N2O/c13-10-8-11-6-7-12(10)9-4-2-1-3-5-9/h1-5,11H,6-8H2

InChIKey

YWUNGYFXNDOGNZ-UHFFFAOYSA-N

Compound name

1-phenylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 353
Patents: 176.09496 Da
Monoisotopic Mass: 0.7
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]+	177.10224	139.2
[M+Na]+	199.08418	152.2
[M+NH4]+	194.12878	147.5
[M+K]+	215.05812	145.3
[M-H]-	175.08768	142.0
[M+Na-2H]-	197.06963	146.9
[M]+	176.09441	141.7
[M]-	176.09551	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe