CID 1514169

Benzyl 3-oxopiperidine-1-carboxylate

Structural Information

Molecular Formula

C₁₃H₁₅NO₃

SMILES

C1CC(=O)CN(C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H15NO3/c15-12-7-4-8-14(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2

InChIKey

ALXLNFWWLXCXSK-UHFFFAOYSA-N

Compound name

benzyl 3-oxopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 319
Patents: 233.1052 Da
Monoisotopic Mass: 1.5
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]+	234.11248	151.9
[M+Na]+	256.09442	157.0
[M-H]-	232.09792	156.3
[M+NH4]+	251.13902	167.7
[M+K]+	272.06836	154.8
[M+H-H2O]+	216.10246	143.6
[M+HCOO]-	278.10340	171.0
[M+CH3COO]-	292.11905	187.8
[M+Na-2H]-	254.07987	155.6
[M]+	233.10465	149.3
[M]-	233.10575	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe