CID 6618868

479630-08-5

Structural Information

Molecular Formula

C₁₅H₂₅NO₅

SMILES

CCOC(=O)CC(=O)C1CCN(CC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C15H25NO5/c1-5-20-13(18)10-12(17)11-6-8-16(9-7-11)14(19)21-15(2,3)4/h11H,5-10H2,1-4H3

InChIKey

CWTULLANCDLMGK-UHFFFAOYSA-N

Compound name

tert-butyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 194
Patents: 299.17328 Da
Monoisotopic Mass: 1.7
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]+	300.180556	170.0
[M+Na]+	322.162498	173.3
[M-H]-	298.166004	170.9
[M+NH4]+	317.207103	183.7
[M+K]+	338.136438	173.5
[M+H-H2O]+	282.170540	163.4
[M+HCOO]-	344.171481	184.2
[M+CH3COO]-	358.187131	202.2
[M+Na-2H]-	320.147946	169.4
[M]+	299.17273142	171.4
[M]-	299.17382858	171.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe