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

6
Patents

234.05283 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06011 145.1
[M+Na]+ 257.04205 156.5
[M-H]- 233.04555 151.8
[M+NH4]+ 252.08665 165.2
[M+K]+ 273.01599 156.1
[M+H-H2O]+ 217.05009 139.9
[M+HCOO]- 279.05103 170.4
[M+CH3COO]- 293.06668 189.9
[M+Na-2H]- 255.02750 151.4
[M]+ 234.05228 154.1
[M]- 234.05338 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