CID 57920278

1006044-27-4

Structural Information

Molecular Formula

C₁₃H₂₃NO₅

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CO)C(=O)OC

InChI

InChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-7-5-13(9-15,6-8-14)10(16)18-4/h15H,5-9H2,1-4H3

InChIKey

UQZQXEFGHRYLNJ-UHFFFAOYSA-N

Compound name

1-O-tert-butyl 4-O-methyl 4-(hydroxymethyl)piperidine-1,4-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 273.15762 Da
Monoisotopic Mass: 0.6
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]+	274.164896	163.0
[M+Na]+	296.146838	167.5
[M-H]-	272.150344	163.1
[M+NH4]+	291.191443	179.2
[M+K]+	312.120778	167.8
[M+H-H2O]+	256.154880	157.9
[M+HCOO]-	318.155821	177.1
[M+CH3COO]-	332.171471	193.3
[M+Na-2H]-	294.132286	165.4
[M]+	273.15707142	163.4
[M]-	273.15816858	163.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe