CID 3016964

Methyl 6-methoxybenzofuran-2-carboxylate

Structural Information

Molecular Formula
C11H10O4
SMILES
COC1=CC2=C(C=C1)C=C(O2)C(=O)OC
InChI
InChI=1S/C11H10O4/c1-13-8-4-3-7-5-10(11(12)14-2)15-9(7)6-8/h3-6H,1-2H3
InChIKey
XSWDPIQGBIWAPT-UHFFFAOYSA-N
Compound name
methyl 6-methoxy-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

206.0579 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.065176 139.4
[M+Na]+ 229.047118 150.2
[M-H]- 205.050624 145.8
[M+NH4]+ 224.091723 160.5
[M+K]+ 245.021058 150.0
[M+H-H2O]+ 189.055160 134.2
[M+HCOO]- 251.056101 164.6
[M+CH3COO]- 265.071751 184.3
[M+Na-2H]- 227.032566 146.7
[M]+ 206.05735142 146.8
[M]- 206.05844858 146.8
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