CID 209475

19946-17-9

Structural Information

Molecular Formula

C₁₆H₂₃NO₃

SMILES

CCOC(=O)C(C1C(CCCN1)OC)C2=CC=CC=C2

InChI

InChI=1S/C16H23NO3/c1-3-20-16(18)14(12-8-5-4-6-9-12)15-13(19-2)10-7-11-17-15/h4-6,8-9,13-15,17H,3,7,10-11H2,1-2H3

InChIKey

QCNJHKKSBVXYHD-UHFFFAOYSA-N

Compound name

ethyl 2-(3-methoxypiperidin-2-yl)-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.1678 Da
Monoisotopic Mass: 2.2
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]+	278.175076	166.9
[M+Na]+	300.157018	169.6
[M-H]-	276.160524	169.3
[M+NH4]+	295.201623	180.1
[M+K]+	316.130958	166.9
[M+H-H2O]+	260.165060	158.4
[M+HCOO]-	322.166001	182.2
[M+CH3COO]-	336.181651	196.6
[M+Na-2H]-	298.142466	167.4
[M]+	277.16725142	163.6
[M]-	277.16834858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.