CID 205876

Piperazine, 1-acetyl-4-phenyl-, hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

CC(=O)N1CCN(CC1)C2=CC=CC=C2

InChI

InChI=1S/C12H16N2O/c1-11(15)13-7-9-14(10-8-13)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3

InChIKey

YFBOBXSXWBMZCY-UHFFFAOYSA-N

Compound name

1-(4-phenylpiperazin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 199
Patents: 204.12627 Da
Monoisotopic Mass: 1.3
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]+	205.13355	147.5
[M+Na]+	227.11549	160.3
[M+NH4]+	222.16009	155.7
[M+K]+	243.08943	153.5
[M-H]-	203.11899	150.5
[M+Na-2H]-	225.10094	155.0
[M]+	204.12572	150.1
[M]-	204.12682	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe