CID 22971

6468-75-3

Structural Information

Molecular Formula

C₁₄H₁₂O₅

SMILES

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

InChI

InChI=1S/C14H12O5/c1-3-18-13(16)9-4-5-12-10(6-9)7-11(8(2)15)14(17)19-12/h4-7H,3H2,1-2H3

InChIKey

NVDXCXJKXHRCEJ-UHFFFAOYSA-N

Compound name

ethyl 3-acetyl-2-oxochromene-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 260.06848 Da
Monoisotopic Mass: 2.0
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]+	261.075756	152.4
[M+Na]+	283.057698	162.0
[M-H]-	259.061204	158.4
[M+NH4]+	278.102303	169.2
[M+K]+	299.031638	161.4
[M+H-H2O]+	243.065740	146.0
[M+HCOO]-	305.066681	174.0
[M+CH3COO]-	319.082331	196.6
[M+Na-2H]-	281.043146	157.9
[M]+	260.06793142	158.6
[M]-	260.06902858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe