CID 3019711

84145-23-3

Structural Information

Molecular Formula

C₁₅H₁₉NO₄

SMILES

CCOC(=O)N1CCC(=O)C(C1)OCC2=CC=CC=C2

InChI

InChI=1S/C15H19NO4/c1-2-19-15(18)16-9-8-13(17)14(10-16)20-11-12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3

InChIKey

SZYRUOZKAHIWLV-UHFFFAOYSA-N

Compound name

ethyl 4-oxo-3-phenylmethoxypiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 277.1314 Da
Monoisotopic Mass: 1.4
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]+	278.138676	163.4
[M+Na]+	300.120618	168.5
[M-H]-	276.124124	167.9
[M+NH4]+	295.165223	177.7
[M+K]+	316.094558	166.5
[M+H-H2O]+	260.128660	154.8
[M+HCOO]-	322.129601	182.1
[M+CH3COO]-	336.145251	197.1
[M+Na-2H]-	298.106066	165.5
[M]+	277.13085142	163.4
[M]-	277.13194858	163.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe