CID 692385

17123-82-9

Structural Information

Molecular Formula

C₁₄H₁₆ClNO

SMILES

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

InChI

InChI=1S/C14H16ClNO/c15-13-7-4-12(5-8-13)6-9-14(17)16-10-2-1-3-11-16/h4-9H,1-3,10-11H2/b9-6+

InChIKey

UCBCOMZMXLGOSD-RMKNXTFCSA-N

Compound name

(E)-3-(4-chlorophenyl)-1-piperidin-1-ylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 249.09204 Da
Monoisotopic Mass: 3.4
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]+	250.09932	156.7
[M+Na]+	272.08126	162.4
[M-H]-	248.08476	160.8
[M+NH4]+	267.12586	173.0
[M+K]+	288.05520	157.0
[M+H-H2O]+	232.08930	149.2
[M+HCOO]-	294.09024	170.5
[M+CH3COO]-	308.10589	190.4
[M+Na-2H]-	270.06671	159.4
[M]+	249.09149	153.7
[M]-	249.09259	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe