CID 12269509

Methyl 7-methoxy-1-benzofuran-2-carboxylate

Structural Information

Molecular Formula
C11H10O4
SMILES
COC1=CC=CC2=C1OC(=C2)C(=O)OC
InChI
InChI=1S/C11H10O4/c1-13-8-5-3-4-7-6-9(11(12)14-2)15-10(7)8/h3-6H,1-2H3
InChIKey
RRRJHZIXAVRXTJ-UHFFFAOYSA-N
Compound name
methyl 7-methoxy-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

31
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

literature stripe

Patent stripe

patents stripe