CID 200349

1535-27-9

Structural Information

Molecular Formula

C₁₅H₂₀FNO

SMILES

CC(CN1CCCCC1)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H20FNO/c1-12(11-17-9-3-2-4-10-17)15(18)13-5-7-14(16)8-6-13/h5-8,12H,2-4,9-11H2,1H3

InChIKey

PJQPFCKUQRODKR-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-2-methyl-3-piperidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 249.1529 Da
Monoisotopic Mass: 3.1
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]+	250.16018	160.8
[M+Na]+	272.14212	171.7
[M+NH4]+	267.18672	168.3
[M+K]+	288.11606	164.8
[M-H]-	248.14562	162.7
[M+Na-2H]-	270.12757	166.7
[M]+	249.15235	162.7
[M]-	249.15345	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe