CID 56684096

Methyl 3-(8-methoxy-2-oxo-2h-chromen-3-yl)-3-oxopropanoate

Structural Information

Molecular Formula
C14H12O6
SMILES
COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)CC(=O)OC
InChI
InChI=1S/C14H12O6/c1-18-11-5-3-4-8-6-9(14(17)20-13(8)11)10(15)7-12(16)19-2/h3-6H,7H2,1-2H3
InChIKey
HVTXNZPYJUMGAA-UHFFFAOYSA-N
Compound name
methyl 3-(8-methoxy-2-oxochromen-3-yl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0634 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.070676 155.2
[M+Na]+ 299.052618 164.5
[M-H]- 275.056124 161.1
[M+NH4]+ 294.097223 171.2
[M+K]+ 315.026558 164.6
[M+H-H2O]+ 259.060660 148.5
[M+HCOO]- 321.061601 176.9
[M+CH3COO]- 335.077251 198.8
[M+Na-2H]- 297.038066 160.8
[M]+ 276.06285142 162.8
[M]- 276.06394858 162.8
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.