CID 16218276

189442-87-3

Structural Information

Molecular Formula

C₁₄H₂₅NO₄

SMILES

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C14H25NO4/c1-6-18-11(16)14(5)7-9-15(10-8-14)12(17)19-13(2,3)4/h6-10H2,1-5H3

InChIKey

ZQZVWDXMUCTNRI-UHFFFAOYSA-N

Compound name

1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 242
Patents: 271.17834 Da
Monoisotopic Mass: 2.2
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	163.8
[M+Na]+	294.167558	168.6
[M-H]-	270.171064	165.2
[M+NH4]+	289.212163	181.0
[M+K]+	310.141498	168.9
[M+H-H2O]+	254.175600	158.5
[M+HCOO]-	316.176541	178.9
[M+CH3COO]-	330.192191	196.6
[M+Na-2H]-	292.153006	166.0
[M]+	271.17779142	165.0
[M]-	271.17888858	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe