CID 18319921

1-boc-2-benzylpiperidin-4-one

Structural Information

Molecular Formula

C₁₇H₂₃NO₃

SMILES

CC(C)(C)OC(=O)N1CCC(=O)CC1CC2=CC=CC=C2

InChI

InChI=1S/C17H23NO3/c1-17(2,3)21-16(20)18-10-9-15(19)12-14(18)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3

InChIKey

LQBXEVOJCOQNTJ-UHFFFAOYSA-N

Compound name

tert-butyl 2-benzyl-4-oxopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 289.1678 Da
Monoisotopic Mass: 2.6
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]+	290.175076	169.3
[M+Na]+	312.157018	174.2
[M-H]-	288.160524	173.9
[M+NH4]+	307.201623	183.5
[M+K]+	328.130958	171.7
[M+H-H2O]+	272.165060	161.4
[M+HCOO]-	334.166001	185.6
[M+CH3COO]-	348.181651	200.7
[M+Na-2H]-	310.142466	171.3
[M]+	289.16725142	168.1
[M]-	289.16834858	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe