CID 112443

70644-44-9

Structural Information

Molecular Formula

C₁₁H₁₉NO₂

SMILES

CC1(CC(=CC(N1)(C)C)C(=O)OC)C

InChI

InChI=1S/C11H19NO2/c1-10(2)6-8(9(13)14-5)7-11(3,4)12-10/h6,12H,7H2,1-5H3

InChIKey

DLCYEHVZFWZKKD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 197.14159 Da
Monoisotopic Mass: 1.3
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]+	198.14887	142.7
[M+Na]+	220.13081	150.7
[M-H]-	196.13431	144.0
[M+NH4]+	215.17541	164.6
[M+K]+	236.10475	149.4
[M+H-H2O]+	180.13885	138.6
[M+HCOO]-	242.13979	160.7
[M+CH3COO]-	256.15544	183.1
[M+Na-2H]-	218.11626	147.5
[M]+	197.14104	142.2
[M]-	197.14214	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe