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: 6
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]+	210.112476	143.1
[M+Na]+	232.094418	153.3
[M-H]-	208.097924	145.2
[M+NH4]+	227.139023	161.0
[M+K]+	248.068358	150.9
[M+H-H2O]+	192.102460	137.3
[M+HCOO]-	254.103401	164.3
[M+CH3COO]-	268.119051	186.8
[M+Na-2H]-	230.079866	145.9
[M]+	209.10465142	146.3
[M]-	209.10574858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe