CID 28409671

4-[4-(aminomethyl)phenyl]piperazin-2-one hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅N₃O

SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CN

InChI

InChI=1S/C11H15N3O/c12-7-9-1-3-10(4-2-9)14-6-5-13-11(15)8-14/h1-4H,5-8,12H2,(H,13,15)

InChIKey

HHTYQKRMCZUXLU-UHFFFAOYSA-N

Compound name

4-[4-(aminomethyl)phenyl]piperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 205.1215 Da
Monoisotopic Mass: 0.0
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]+	206.12878	147.0
[M+Na]+	228.11072	158.5
[M+NH4]+	223.15532	154.4
[M+K]+	244.08466	152.3
[M-H]-	204.11422	149.8
[M+Na-2H]-	226.09617	153.4
[M]+	205.12095	149.1
[M]-	205.12205	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe