CID 118617783

1803262-21-6

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

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

InChI

InChI=1S/C11H15NO3/c1-5-15-11(14)9-8(4)12-7(3)6(2)10(9)13/h5H2,1-4H3,(H,12,13)

InChIKey

KWZFCCHANYEWMZ-UHFFFAOYSA-N

Compound name

ethyl 2,5,6-trimethyl-4-oxo-1H-pyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 209.1052 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]+	210.11248	145.7
[M+Na]+	232.09442	158.4
[M+NH4]+	227.13902	152.0
[M+K]+	248.06836	153.4
[M-H]-	208.09792	145.7
[M+Na-2H]-	230.07987	150.0
[M]+	209.10465	147.3
[M]-	209.10575	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe