CID 200568

2267-97-2

Structural Information

Molecular Formula

C₁₃H₁₆FNO

SMILES

CC1(CC(=O)CC(N1)C2=CC=C(C=C2)F)C

InChI

InChI=1S/C13H16FNO/c1-13(2)8-11(16)7-12(15-13)9-3-5-10(14)6-4-9/h3-6,12,15H,7-8H2,1-2H3

InChIKey

CKCURTUTWTUVEM-UHFFFAOYSA-N

Compound name

6-(4-fluorophenyl)-2,2-dimethylpiperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.1216 Da
Monoisotopic Mass: 1.5
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]+	222.12888	149.0
[M+Na]+	244.11082	156.7
[M-H]-	220.11432	151.7
[M+NH4]+	239.15542	167.5
[M+K]+	260.08476	152.4
[M+H-H2O]+	204.11886	141.4
[M+HCOO]-	266.11980	166.0
[M+CH3COO]-	280.13545	186.9
[M+Na-2H]-	242.09627	152.5
[M]+	221.12105	143.2
[M]-	221.12215	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe