CID 205900

Piperazine, 1-butyryl-4-phenyl-, hydrochloride

Structural Information

Molecular Formula

C₁₄H₂₀N₂O

SMILES

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

InChI

InChI=1S/C14H20N2O/c1-2-6-14(17)16-11-9-15(10-12-16)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3

InChIKey

JXLKEICESRUBKL-UHFFFAOYSA-N

Compound name

1-(4-phenylpiperazin-1-yl)butan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 232.15756 Da
Monoisotopic Mass: 2.1
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]+	233.16484	156.4
[M+Na]+	255.14678	168.8
[M+NH4]+	250.19138	164.3
[M+K]+	271.12072	161.5
[M-H]-	231.15028	159.4
[M+Na-2H]-	253.13223	163.4
[M]+	232.15701	158.9
[M]-	232.15811	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe