CID 643496

Benzyl 4-oxopiperidine-1-carboxylate

Structural Information

Molecular Formula

C₁₃H₁₅NO₃

SMILES

C1CN(CCC1=O)C(=O)OCC2=CC=CC=C2

InChI

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

InChIKey

VZOVOHRDLOYBJX-UHFFFAOYSA-N

Compound name

benzyl 4-oxopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3536
Patents: 233.1052 Da
Monoisotopic Mass: 1.1
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]+	234.112476	151.9
[M+Na]+	256.094418	157.0
[M-H]-	232.097924	156.3
[M+NH4]+	251.139023	167.7
[M+K]+	272.068358	154.8
[M+H-H2O]+	216.102460	143.6
[M+HCOO]-	278.103401	171.0
[M+CH3COO]-	292.119051	187.8
[M+Na-2H]-	254.079866	155.6
[M]+	233.10465142	149.3
[M]-	233.10574858	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe