CID 71300233

Methyl 7-ethoxy-1-benzofuran-2-carboxylate

Structural Information

Molecular Formula
C12H12O4
SMILES
CCOC1=CC=CC2=C1OC(=C2)C(=O)OC
InChI
InChI=1S/C12H12O4/c1-3-15-9-6-4-5-8-7-10(12(13)14-2)16-11(8)9/h4-7H,3H2,1-2H3
InChIKey
NFSLBOPJUNQAHM-UHFFFAOYSA-N
Compound name
methyl 7-ethoxy-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.