CID 11745869

112110-16-4

Structural Information

Molecular Formula

C₁₀H₁₁NO₄

SMILES

CC1=CC(=C(N=C1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C10H11NO4/c1-6-4-7(9(12)14-2)8(11-5-6)10(13)15-3/h4-5H,1-3H3

InChIKey

MKOJTLPEGLTEFM-UHFFFAOYSA-N

Compound name

dimethyl 5-methylpyridine-2,3-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 71
Patents: 209.0688 Da
Monoisotopic Mass: 1.3
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]+	210.07608	143.5
[M+Na]+	232.05802	155.4
[M+NH4]+	227.10262	149.7
[M+K]+	248.03196	151.3
[M-H]-	208.06152	143.2
[M+Na-2H]-	230.04347	148.4
[M]+	209.06825	144.9
[M]-	209.06935	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe