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: 13
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]+	198.148866	142.7
[M+Na]+	220.130808	150.7
[M-H]-	196.134314	144.0
[M+NH4]+	215.175413	164.6
[M+K]+	236.104748	149.4
[M+H-H2O]+	180.138850	138.6
[M+HCOO]-	242.139791	160.7
[M+CH3COO]-	256.155441	183.1
[M+Na-2H]-	218.116256	147.5
[M]+	197.14104142	142.2
[M]-	197.14213858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe