CID 3049913

65320-59-4

Structural Information

Molecular Formula

C₁₅H₁₉NO₂

SMILES

CCC(=O)OC1CN(CC=C1C2=CC=CC=C2)C

InChI

InChI=1S/C15H19NO2/c1-3-15(17)18-14-11-16(2)10-9-13(14)12-7-5-4-6-8-12/h4-9,14H,3,10-11H2,1-2H3

InChIKey

UNXVBBIJAXDZKA-UHFFFAOYSA-N

Compound name

(1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.14159 Da
Monoisotopic Mass: 2.1
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]+	246.148866	157.1
[M+Na]+	268.130808	163.1
[M-H]-	244.134314	161.9
[M+NH4]+	263.175413	173.0
[M+K]+	284.104748	160.2
[M+H-H2O]+	228.138850	148.9
[M+HCOO]-	290.139791	176.6
[M+CH3COO]-	304.155441	194.0
[M+Na-2H]-	266.116256	160.1
[M]+	245.14104142	156.4
[M]-	245.14213858	156.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.