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]+ 235.09648 148.6
[M+Na]+ 257.07842 159.4
[M-H]- 233.08192 155.1
[M+NH4]+ 252.12302 168.9
[M+K]+ 273.05236 158.8
[M+H-H2O]+ 217.08646 143.4
[M+HCOO]- 279.08740 173.1
[M+CH3COO]- 293.10305 191.5
[M+Na-2H]- 255.06387 154.2
[M]+ 234.08865 157.2
[M]- 234.08975 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