CID 216017

Piperazine, 1-(cyclobutylcarbonyl)-4-phenyl-

Structural Information

Molecular Formula

C₁₅H₂₀N₂O

SMILES

C1CC(C1)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C15H20N2O/c18-15(13-5-4-6-13)17-11-9-16(10-12-17)14-7-2-1-3-8-14/h1-3,7-8,13H,4-6,9-12H2

InChIKey

CYDGFBIPYYSQGC-UHFFFAOYSA-N

Compound name

cyclobutyl-(4-phenylpiperazin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 3
Patents: 244.15756 Da
Monoisotopic Mass: 2.3
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]+	245.16484	156.8
[M+Na]+	267.14678	164.6
[M+NH4]+	262.19138	161.1
[M+K]+	283.12072	159.5
[M-H]-	243.15028	158.4
[M+Na-2H]-	265.13223	162.1
[M]+	244.15701	157.1
[M]-	244.15811	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe