CID 202135

7550-06-3

Structural Information

Molecular Formula

C₁₅H₂₁NO₂

SMILES

CCOC(=O)C(C1=CC=CC=C1)N2CCCCC2

InChI

InChI=1S/C15H21NO2/c1-2-18-15(17)14(13-9-5-3-6-10-13)16-11-7-4-8-12-16/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3

InChIKey

AGSKYKDXQOBAPX-UHFFFAOYSA-N

Compound name

ethyl 2-phenyl-2-piperidin-1-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 247.15723 Da
Monoisotopic Mass: 3.1
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]+	248.164506	159.3
[M+Na]+	270.146448	162.0
[M-H]-	246.149954	163.0
[M+NH4]+	265.191053	174.3
[M+K]+	286.120388	159.8
[M+H-H2O]+	230.154490	150.7
[M+HCOO]-	292.155431	176.3
[M+CH3COO]-	306.171081	192.9
[M+Na-2H]-	268.131896	161.4
[M]+	247.15668142	155.7
[M]-	247.15777858	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe