CID 2384598

81718-77-6

Structural Information

Molecular Formula
C11H10O4
SMILES
CC1=C(OC2=C1C=C(C=C2)OC)C(=O)O
InChI
InChI=1S/C11H10O4/c1-6-8-5-7(14-2)3-4-9(8)15-10(6)11(12)13/h3-5H,1-2H3,(H,12,13)
InChIKey
BKOHXOOAJNTFCM-UHFFFAOYSA-N
Compound name
5-methoxy-3-methyl-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

206.0579 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 139.9
[M+Na]+ 229.04712 153.2
[M+NH4]+ 224.09172 147.8
[M+K]+ 245.02106 150.3
[M-H]- 205.05062 142.2
[M+Na-2H]- 227.03257 144.7
[M]+ 206.05735 142.4
[M]- 206.05845 142.4
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