CID 9993342

135716-09-5

Structural Information

Molecular Formula

C₁₄H₂₅NO₄

SMILES

CCOC(=O)CC1CCN(CC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C14H25NO4/c1-5-18-12(16)10-11-6-8-15(9-7-11)13(17)19-14(2,3)4/h11H,5-10H2,1-4H3

InChIKey

PQEXLIRUMIRSAL-UHFFFAOYSA-N

Compound name

tert-butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 730
Patents: 271.17834 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]+	272.185616	165.4
[M+Na]+	294.167558	169.2
[M-H]-	270.171064	166.5
[M+NH4]+	289.212163	180.5
[M+K]+	310.141498	169.1
[M+H-H2O]+	254.175600	158.8
[M+HCOO]-	316.176541	180.5
[M+CH3COO]-	330.192191	197.1
[M+Na-2H]-	292.153006	166.1
[M]+	271.17779142	166.2
[M]-	271.17888858	166.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe