CID 108654

54996-03-1

Structural Information

Molecular Formula

C₁₂H₂₁NO₂

SMILES

CCOC(=O)C1=CC(NC(C1)(C)C)(C)C

InChI

InChI=1S/C12H21NO2/c1-6-15-10(14)9-7-11(2,3)13-12(4,5)8-9/h7,13H,6,8H2,1-5H3

InChIKey

AYTGFQNGBCEDCU-UHFFFAOYSA-N

Compound name

ethyl 2,2,6,6-tetramethyl-1,3-dihydropyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 211.15723 Da
Monoisotopic Mass: 1.6
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]+	212.16451	147.1
[M+Na]+	234.14645	154.7
[M-H]-	210.14995	148.3
[M+NH4]+	229.19105	168.5
[M+K]+	250.12039	153.2
[M+H-H2O]+	194.15449	142.8
[M+HCOO]-	256.15543	164.8
[M+CH3COO]-	270.17108	186.1
[M+Na-2H]-	232.13190	151.5
[M]+	211.15668	147.0
[M]-	211.15778	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe