CID 22965

3,5-dicarbethoxycoumarin

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08632 161.0
[M+Na]+ 313.06826 173.8
[M+NH4]+ 308.11286 166.9
[M+K]+ 329.04220 169.3
[M-H]- 289.07176 162.7
[M+Na-2H]- 311.05371 165.0
[M]+ 290.07849 163.2
[M]- 290.07959 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.