CID 4314285

10037-31-7

Structural Information

Molecular Formula

C₁₄H₁₃NO₄

SMILES

CC1=C(C(=NC2=CC=CC=C12)C(=O)OC)C(=O)OC

InChI

InChI=1S/C14H13NO4/c1-8-9-6-4-5-7-10(9)15-12(14(17)19-3)11(8)13(16)18-2/h4-7H,1-3H3

InChIKey

DDGYJSFQHGMAKZ-UHFFFAOYSA-N

Compound name

dimethyl 4-methylquinoline-2,3-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.08447 Da
Monoisotopic Mass: 2.6
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]+	260.091746	155.2
[M+Na]+	282.073688	164.5
[M-H]-	258.077194	159.1
[M+NH4]+	277.118293	172.1
[M+K]+	298.047628	162.7
[M+H-H2O]+	242.081730	148.0
[M+HCOO]-	304.082671	175.9
[M+CH3COO]-	318.098321	197.0
[M+Na-2H]-	280.059136	159.8
[M]+	259.08392142	160.4
[M]-	259.08501858	160.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.