CID 22965

6468-67-3

Structural Information

Molecular Formula

C₁₅H₁₄O₆

SMILES

CCOC(=O)C1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OCC

InChI

InChI=1S/C15H14O6/c1-3-19-13(16)9-5-6-12-10(7-9)8-11(15(18)21-12)14(17)20-4-2/h5-8H,3-4H2,1-2H3

InChIKey

GRJOBAYMDRKDBK-UHFFFAOYSA-N

Compound name

diethyl 2-oxochromene-3,6-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 290.07904 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]+	291.086316	160.3
[M+Na]+	313.068258	169.3
[M-H]-	289.071764	166.1
[M+NH4]+	308.112863	175.8
[M+K]+	329.042198	169.1
[M+H-H2O]+	273.076300	153.3
[M+HCOO]-	335.077241	181.6
[M+CH3COO]-	349.092891	201.1
[M+Na-2H]-	311.053706	165.3
[M]+	290.07849142	168.1
[M]-	290.07958858	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.