CID 22976

3-carbethoxy-6-carbomethoxycoumarin

Structural Information

Molecular Formula
C14H12O6
SMILES
CCOC(=O)C1=CC2=C(C=CC(=C2)C(=O)OC)OC1=O
InChI
InChI=1S/C14H12O6/c1-3-19-13(16)10-7-9-6-8(12(15)18-2)4-5-11(9)20-14(10)17/h4-7H,3H2,1-2H3
InChIKey
MKPQNROCYRZWNM-UHFFFAOYSA-N
Compound name
3-O-ethyl 6-O-methyl 2-oxochromene-3,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0634 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07068 156.5
[M+Na]+ 299.05262 169.5
[M+NH4]+ 294.09722 162.6
[M+K]+ 315.02656 165.3
[M-H]- 275.05612 158.3
[M+Na-2H]- 297.03807 160.7
[M]+ 276.06285 158.7
[M]- 276.06395 158.7
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.