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]+ 221.080836 144.3
[M+Na]+ 243.062778 154.7
[M-H]- 219.066284 150.5
[M+NH4]+ 238.107383 164.8
[M+K]+ 259.036718 154.2
[M+H-H2O]+ 203.070820 138.9
[M+HCOO]- 265.071761 169.2
[M+CH3COO]- 279.087411 187.3
[M+Na-2H]- 241.048226 151.0
[M]+ 220.07301142 152.1
[M]- 220.07410858 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.