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

7
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

literature stripe

Patent stripe

patents stripe