CID 11052578

156496-89-8

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

CC(C)(C)OC(=O)N1CC=CC(=O)C1

InChI

InChI=1S/C10H15NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h4-5H,6-7H2,1-3H3

InChIKey

LAOFVVUJCGMSJG-UHFFFAOYSA-N

Compound name

tert-butyl 3-oxo-2,6-dihydropyridine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 139
Patents: 197.1052 Da
Monoisotopic Mass: 1.1
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]+	198.11248	143.7
[M+Na]+	220.09442	153.9
[M+NH4]+	215.13902	150.3
[M+K]+	236.06836	149.9
[M-H]-	196.09792	143.1
[M+Na-2H]-	218.07987	147.7
[M]+	197.10465	144.7
[M]-	197.10575	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe