CID 2461722

3-(methoxymethyl)-1-benzofuran-2-carboxylic acid

Structural Information

Molecular Formula
C11H10O4
SMILES
COCC1=C(OC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C11H10O4/c1-14-6-8-7-4-2-3-5-9(7)15-10(8)11(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKey
JBBVMFGRVHQEBV-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

206.0579 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 140.3
[M+Na]+ 229.04712 153.1
[M+NH4]+ 224.09172 148.1
[M+K]+ 245.02106 150.0
[M-H]- 205.05062 142.5
[M+Na-2H]- 227.03257 145.2
[M]+ 206.05735 142.6
[M]- 206.05845 142.6
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