CID 854556

300557-34-0

Structural Information

Molecular Formula
C15H16O5
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OC(=O)C(C)C)C(=O)OC
InChI
InChI=1S/C15H16O5/c1-8(2)14(16)20-10-5-6-12-11(7-10)13(9(3)19-12)15(17)18-4/h5-8H,1-4H3
InChIKey
FLSFUJWMRNCXAZ-UHFFFAOYSA-N
Compound name
methyl 2-methyl-5-(2-methylpropanoyloxy)-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

276.09976 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10704 160.2
[M+Na]+ 299.08898 169.7
[M-H]- 275.09248 166.5
[M+NH4]+ 294.13358 178.4
[M+K]+ 315.06292 169.7
[M+H-H2O]+ 259.09702 154.8
[M+HCOO]- 321.09796 182.4
[M+CH3COO]- 335.11361 200.0
[M+Na-2H]- 297.07443 162.4
[M]+ 276.09921 168.9
[M]- 276.10031 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.