CID 102624

41276-30-6

Structural Information

Molecular Formula

C₁₅H₁₉NO₃

SMILES

CCOC(=O)C1CN(CCC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C15H19NO3/c1-2-19-15(18)13-11-16(9-8-14(13)17)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3

InChIKey

ROSZJQBQGFBFSW-UHFFFAOYSA-N

Compound name

ethyl 1-benzyl-4-oxopiperidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 588
Patents: 261.1365 Da
Monoisotopic Mass: 1.7
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]+	262.14378	160.4
[M+Na]+	284.12572	165.5
[M-H]-	260.12922	164.8
[M+NH4]+	279.17032	175.3
[M+K]+	300.09966	162.8
[M+H-H2O]+	244.13376	152.0
[M+HCOO]-	306.13470	178.8
[M+CH3COO]-	320.15035	195.6
[M+Na-2H]-	282.11117	162.4
[M]+	261.13595	159.0
[M]-	261.13705	159.0

Literature stripe

literature stripe

Patent stripe

patents stripe