CID 117767071

Schembl16328025

Structural Information

Molecular Formula

C₁₄H₂₃NO₄

SMILES

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

InChI

InChI=1S/C14H23NO4/c1-6-18-12(16)11-7-8-15(9-10(11)2)13(17)19-14(3,4)5/h6-9H2,1-5H3

InChIKey

DIZGHZWDFXJAHX-UHFFFAOYSA-N

Compound name

1-O-tert-butyl 4-O-ethyl 5-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 269.16272 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]+	270.169996	162.8
[M+Na]+	292.151938	168.6
[M-H]-	268.155444	164.7
[M+NH4]+	287.196543	178.4
[M+K]+	308.125878	168.3
[M+H-H2O]+	252.159980	156.5
[M+HCOO]-	314.160921	179.4
[M+CH3COO]-	328.176571	197.9
[M+Na-2H]-	290.137386	163.9
[M]+	269.16217142	165.5
[M]-	269.16326858	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe