CID 58091405

Tert-butyl 3-(3-oxopropyl)piperidine-1-carboxylate

Structural Information

Molecular Formula

C₁₃H₂₃NO₃

SMILES

CC(C)(C)OC(=O)N1CCCC(C1)CCC=O

InChI

InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-8-4-6-11(10-14)7-5-9-15/h9,11H,4-8,10H2,1-3H3

InChIKey

VYBQCRIOLLOMLS-UHFFFAOYSA-N

Compound name

tert-butyl 3-(3-oxopropyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 241.1678 Da
Monoisotopic Mass: 1.6
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]+	242.175076	158.5
[M+Na]+	264.157018	163.0
[M-H]-	240.160524	159.7
[M+NH4]+	259.201623	174.9
[M+K]+	280.130958	162.0
[M+H-H2O]+	224.165060	152.1
[M+HCOO]-	286.166001	174.7
[M+CH3COO]-	300.181651	191.8
[M+Na-2H]-	262.142466	160.7
[M]+	241.16725142	158.2
[M]-	241.16834858	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe