CID 200031

5527-76-4

Structural Information

Molecular Formula

C₁₃H₁₂O₅

SMILES

CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OC

InChI

InChI=1S/C13H12O5/c1-3-17-13(15)11-7-8(14)12-9(16-2)5-4-6-10(12)18-11/h4-7H,3H2,1-2H3

InChIKey

OJRFUZPONYSMKF-UHFFFAOYSA-N

Compound name

ethyl 5-methoxy-4-oxochromene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 248.06847 Da
Monoisotopic Mass: 2.3
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]+	249.07575	149.3
[M+Na]+	271.05769	159.3
[M-H]-	247.06119	155.4
[M+NH4]+	266.10229	166.7
[M+K]+	287.03163	158.9
[M+H-H2O]+	231.06573	142.8
[M+HCOO]-	293.06667	172.0
[M+CH3COO]-	307.08232	193.4
[M+Na-2H]-	269.04314	156.4
[M]+	248.06792	156.4
[M]-	248.06902	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe