CID 26861

14736-31-3

Structural Information

Molecular Formula

C₁₂H₁₀O₄

SMILES

CCOC(=O)C1=CC(=O)C2=CC=CC=C2O1

InChI

InChI=1S/C12H10O4/c1-2-15-12(14)11-7-9(13)8-5-3-4-6-10(8)16-11/h3-7H,2H2,1H3

InChIKey

CJVFJZNWXDFXHF-UHFFFAOYSA-N

Compound name

ethyl 4-oxochromene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 76
Patents: 218.0579 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]+	219.06518	142.0
[M+Na]+	241.04712	151.7
[M-H]-	217.05062	147.9
[M+NH4]+	236.09172	160.5
[M+K]+	257.02106	150.9
[M+H-H2O]+	201.05516	135.8
[M+HCOO]-	263.05610	164.9
[M+CH3COO]-	277.07175	187.0
[M+Na-2H]-	239.03257	150.3
[M]+	218.05735	146.9
[M]-	218.05845	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe