CID 638024

Piperine

Structural Information

Molecular Formula

C₁₇H₁₉NO₃

SMILES

C1CCN(CC1)C(=O)/C=C/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+

InChIKey

MXXWOMGUGJBKIW-YPCIICBESA-N

Compound name

(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 1134
References: 12909
Patents: 285.1365 Da
Monoisotopic Mass: 3.5
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]+	286.14378	168.2
[M+Na]+	308.12572	179.2
[M+NH4]+	303.17032	175.5
[M+K]+	324.09966	174.5
[M-H]-	284.12922	173.1
[M+Na-2H]-	306.11117	171.3
[M]+	285.13595	170.9
[M]-	285.13705	170.9

Literature stripe

literature stripe

Patent stripe

patents stripe