CID 200460

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

Structural Information

Molecular Formula
C13H16ClNO
SMILES
CC1(CC(=O)CC(N1)C2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C13H16ClNO/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
DTYKUDWWQYUHRI-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-2,2-dimethylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.09204 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09932 151.7
[M+Na]+ 260.08126 160.1
[M-H]- 236.08476 155.6
[M+NH4]+ 255.12586 170.5
[M+K]+ 276.05520 154.5
[M+H-H2O]+ 220.08930 145.8
[M+HCOO]- 282.09024 165.2
[M+CH3COO]- 296.10589 188.0
[M+Na-2H]- 258.06671 155.4
[M]+ 237.09149 149.1
[M]- 237.09259 149.1
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