CID 22278861

473838-66-3

Structural Information

Molecular Formula

C₁₅H₁₉NO₃

SMILES

CC1(CN(CCC1=O)C(=O)OCC2=CC=CC=C2)C

InChI

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

InChIKey

QHCSLEQTUOGKAJ-UHFFFAOYSA-N

Compound name

benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 261.1365 Da
Monoisotopic Mass: 2.0
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	160.1
[M+Na]+	284.12572	166.3
[M-H]-	260.12922	165.0
[M+NH4]+	279.17032	177.3
[M+K]+	300.09966	164.1
[M+H-H2O]+	244.13376	152.5
[M+HCOO]-	306.13470	178.6
[M+CH3COO]-	320.15035	194.5
[M+Na-2H]-	282.11117	163.3
[M]+	261.13595	159.0
[M]-	261.13705	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe