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: 72
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	141.6
[M+Na]+	232.05802	150.5
[M-H]-	208.06152	144.6
[M+NH4]+	227.10262	159.5
[M+K]+	248.03196	150.2
[M+H-H2O]+	192.06606	135.0
[M+HCOO]-	254.06700	163.9
[M+CH3COO]-	268.08265	186.1
[M+Na-2H]-	230.04347	145.7
[M]+	209.06825	146.2
[M]-	209.06935	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe