CID 200568

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

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

2
Patents

221.1216 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.128876 149.0
[M+Na]+ 244.110818 156.7
[M-H]- 220.114324 151.7
[M+NH4]+ 239.155423 167.5
[M+K]+ 260.084758 152.4
[M+H-H2O]+ 204.118860 141.4
[M+HCOO]- 266.119801 166.0
[M+CH3COO]- 280.135451 186.9
[M+Na-2H]- 242.096266 152.5
[M]+ 221.12105142 143.2
[M]- 221.12214858 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe