CID 199916

5250-05-5

Structural Information

Molecular Formula

C₁₄H₁₈ClNO

SMILES

C1CCN(CC1)CCC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H18ClNO/c15-13-6-4-12(5-7-13)14(17)8-11-16-9-2-1-3-10-16/h4-7H,1-3,8-11H2

InChIKey

XTKSQGRNAYNEOE-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-3-piperidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 4
Patents: 251.1077 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]+	252.11498	157.3
[M+Na]+	274.09692	170.7
[M+NH4]+	269.14152	166.3
[M+K]+	290.07086	162.3
[M-H]-	250.10042	161.1
[M+Na-2H]-	272.08237	164.8
[M]+	251.10715	160.5
[M]-	251.10825	160.5

Literature stripe

literature stripe

Patent stripe

patents stripe