CID 23643714

632352-56-8

Structural Information

Molecular Formula

C₁₆H₂₁NO₃

SMILES

CC(C)(C)OC(=O)N1CCC(=O)C(C1)C2=CC=CC=C2

InChI

InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)17-10-9-14(18)13(11-17)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3

InChIKey

SIZBVZFDWNCKJM-UHFFFAOYSA-N

Compound name

tert-butyl 4-oxo-3-phenylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 275.15213 Da
Monoisotopic Mass: 2.3
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]+	276.159406	164.7
[M+Na]+	298.141348	170.1
[M-H]-	274.144854	169.5
[M+NH4]+	293.185953	179.5
[M+K]+	314.115288	167.8
[M+H-H2O]+	258.149390	157.0
[M+HCOO]-	320.150331	181.3
[M+CH3COO]-	334.165981	197.7
[M+Na-2H]-	296.126796	167.2
[M]+	275.15158142	163.2
[M]-	275.15267858	163.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe