CID 692385

Piperidine, 1-(3-(4-chlorophenyl)-1-oxo-2-propenyl)-

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

5
Patents

249.09204 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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

No patent data available for this compound.