CID 118617535

1851359-11-9

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

CCOC(=O)C1=C(C(=C(N=C1C)C)C)OC

InChI

InChI=1S/C12H17NO3/c1-6-16-12(14)10-9(4)13-8(3)7(2)11(10)15-5/h6H2,1-5H3

InChIKey

MYUKAAQSCNRUEV-UHFFFAOYSA-N

Compound name

ethyl 4-methoxy-2,5,6-trimethylpyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 223.12085 Da
Monoisotopic Mass: 2.2
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]+	224.12813	147.9
[M+Na]+	246.11007	157.8
[M-H]-	222.11357	151.2
[M+NH4]+	241.15467	166.0
[M+K]+	262.08401	156.7
[M+H-H2O]+	206.11811	141.6
[M+HCOO]-	268.11905	170.1
[M+CH3COO]-	282.13470	193.1
[M+Na-2H]-	244.09552	150.7
[M]+	223.12030	154.0
[M]-	223.12140	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe