CID 521283

50551-56-9

Structural Information

Molecular Formula
C12H12O4
SMILES
CCOC(=O)C1=CC2=C(O1)C=CC(=C2)OC
InChI
InChI=1S/C12H12O4/c1-3-15-12(13)11-7-8-6-9(14-2)4-5-10(8)16-11/h4-7H,3H2,1-2H3
InChIKey
IJCODAOXFYTGBS-UHFFFAOYSA-N
Compound name
ethyl 5-methoxy-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

162
Patents

220.07356 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 144.3
[M+Na]+ 243.06278 154.7
[M-H]- 219.06628 150.5
[M+NH4]+ 238.10738 164.8
[M+K]+ 259.03672 154.2
[M+H-H2O]+ 203.07082 138.9
[M+HCOO]- 265.07176 169.2
[M+CH3COO]- 279.08741 187.3
[M+Na-2H]- 241.04823 151.0
[M]+ 220.07301 152.1
[M]- 220.07411 152.1
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

patents stripe