CID 11458177

1-benzyl-3-oxopiperazine

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

C1CN(CC(=O)N1)CC2=CC=CC=C2

InChI

InChI=1S/C11H14N2O/c14-11-9-13(7-6-12-11)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,12,14)

InChIKey

SBWVHKNCFZRBRJ-UHFFFAOYSA-N

Compound name

4-benzylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 162
Patents: 190.11061 Da
Monoisotopic Mass: 0.9
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]+	191.11789	142.8
[M+Na]+	213.09983	148.4
[M-H]-	189.10333	144.5
[M+NH4]+	208.14443	158.4
[M+K]+	229.07377	144.5
[M+H-H2O]+	173.10787	134.4
[M+HCOO]-	235.10881	160.1
[M+CH3COO]-	249.12446	179.1
[M+Na-2H]-	211.08528	148.3
[M]+	190.11006	136.7
[M]-	190.11116	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe