CID 14641

Primaperone

Structural Information

Molecular Formula

C₁₅H₂₀FNO

SMILES

C1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H20FNO/c16-14-8-6-13(7-9-14)15(18)5-4-12-17-10-2-1-3-11-17/h6-9H,1-5,10-12H2

InChIKey

LUKOGYUKYPZBFP-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-4-piperidin-1-ylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 580
Patents: 249.1529 Da
Monoisotopic Mass: 2.7
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]+	250.160176	158.7
[M+Na]+	272.142118	162.7
[M-H]-	248.145624	161.2
[M+NH4]+	267.186723	173.9
[M+K]+	288.116058	158.9
[M+H-H2O]+	232.150160	149.3
[M+HCOO]-	294.151101	175.4
[M+CH3COO]-	308.166751	194.5
[M+Na-2H]-	270.127566	160.6
[M]+	249.15235142	153.6
[M]-	249.15344858	153.6

Literature stripe

literature stripe

Patent stripe

patents stripe