CID 10377866

40110-55-2

Structural Information

Molecular Formula

C₁₆H₂₁NO₂

SMILES

CCOC(=O)C=C1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H21NO2/c1-2-19-16(18)12-14-8-10-17(11-9-14)13-15-6-4-3-5-7-15/h3-7,12H,2,8-11,13H2,1H3

InChIKey

ZKKOLEGJTTYPDH-UHFFFAOYSA-N

Compound name

ethyl 2-(1-benzylpiperidin-4-ylidene)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 259.15723 Da
Monoisotopic Mass: 2.4
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]+	260.16451	162.6
[M+Na]+	282.14645	166.5
[M-H]-	258.14995	166.4
[M+NH4]+	277.19105	177.4
[M+K]+	298.12039	163.0
[M+H-H2O]+	242.15449	153.9
[M+HCOO]-	304.15543	180.5
[M+CH3COO]-	318.17108	194.7
[M+Na-2H]-	280.13190	164.6
[M]+	259.15668	159.6
[M]-	259.15778	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe