CID 14950489

147330-26-5

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

CCCC1=C(C(=O)C=C(N1)C)C(=O)OC

InChI

InChI=1S/C11H15NO3/c1-4-5-8-10(11(14)15-3)9(13)6-7(2)12-8/h6H,4-5H2,1-3H3,(H,12,13)

InChIKey

GWZOVKNSZJVFEN-UHFFFAOYSA-N

Compound name

methyl 6-methyl-4-oxo-2-propyl-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	144.0
[M+Na]+	232.094418	153.3
[M-H]-	208.097924	145.6
[M+NH4]+	227.139023	161.6
[M+K]+	248.068358	150.8
[M+H-H2O]+	192.102460	137.8
[M+HCOO]-	254.103401	165.2
[M+CH3COO]-	268.119051	185.5
[M+Na-2H]-	230.079866	147.4
[M]+	209.10465142	146.7
[M]-	209.10574858	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe