CID 2307798

3710-50-7

Structural Information

Molecular Formula
C13H14O4
SMILES
CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)OC)C
InChI
InChI=1S/C13H14O4/c1-4-16-13(14)12-8(2)10-7-9(15-3)5-6-11(10)17-12/h5-7H,4H2,1-3H3
InChIKey
DAETWRKPSJXAJB-UHFFFAOYSA-N
Compound name
ethyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

234.0892 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.096476 148.6
[M+Na]+ 257.078418 159.4
[M-H]- 233.081924 155.1
[M+NH4]+ 252.123023 168.9
[M+K]+ 273.052358 158.8
[M+H-H2O]+ 217.086460 143.4
[M+HCOO]- 279.087401 173.1
[M+CH3COO]- 293.103051 191.5
[M+Na-2H]- 255.063866 154.2
[M]+ 234.08865142 157.2
[M]- 234.08974858 157.2
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