CID 12269519

Methyl 4-formyl-7-methoxy-1-benzofuran-2-carboxylate

Structural Information

Molecular Formula
C12H10O5
SMILES
COC1=C2C(=C(C=C1)C=O)C=C(O2)C(=O)OC
InChI
InChI=1S/C12H10O5/c1-15-9-4-3-7(6-13)8-5-10(12(14)16-2)17-11(8)9/h3-6H,1-2H3
InChIKey
AVCWNJCJLPKBFH-UHFFFAOYSA-N
Compound name
methyl 4-formyl-7-methoxy-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

234.05283 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.060106 145.1
[M+Na]+ 257.042048 156.5
[M-H]- 233.045554 151.8
[M+NH4]+ 252.086653 165.2
[M+K]+ 273.015988 156.1
[M+H-H2O]+ 217.050090 139.9
[M+HCOO]- 279.051031 170.4
[M+CH3COO]- 293.066681 189.9
[M+Na-2H]- 255.027496 151.4
[M]+ 234.05228142 154.1
[M]- 234.05337858 154.1
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

patents stripe