CID 46911995

888952-55-4

Structural Information

Molecular Formula

C₁₃H₂₃NO₄

SMILES

CC1(CCCN(C1)C(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C13H23NO4/c1-12(2,3)18-11(16)14-8-6-7-13(4,9-14)10(15)17-5/h6-9H2,1-5H3

InChIKey

QCXGMLPZKNFRRV-UHFFFAOYSA-N

Compound name

1-O-tert-butyl 3-O-methyl 3-methylpiperidine-1,3-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 257.16272 Da
Monoisotopic Mass: 1.8
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]+	258.17000	160.2
[M+Na]+	280.15194	168.1
[M+NH4]+	275.19654	166.9
[M+K]+	296.12588	163.3
[M-H]-	256.15544	158.4
[M+Na-2H]-	278.13739	163.4
[M]+	257.16217	160.6
[M]-	257.16327	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe