CID 199572

4423-96-5

Structural Information

Molecular Formula

C₁₃H₁₆ClNO

SMILES

CC1(CC(=O)CC(N1)C2=CC=CC=C2Cl)C

InChI

InChI=1S/C13H16ClNO/c1-13(2)8-9(16)7-12(15-13)10-5-3-4-6-11(10)14/h3-6,12,15H,7-8H2,1-2H3

InChIKey

CSCYTRMTQDBUGL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 237.09204 Da
Monoisotopic Mass: 2.0
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]+	238.099316	151.7
[M+Na]+	260.081258	160.1
[M-H]-	236.084764	155.6
[M+NH4]+	255.125863	170.5
[M+K]+	276.055198	154.5
[M+H-H2O]+	220.089300	145.8
[M+HCOO]-	282.090241	165.2
[M+CH3COO]-	296.105891	188.0
[M+Na-2H]-	258.066706	155.4
[M]+	237.09149142	149.1
[M]-	237.09258858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe