CID 12844603

7-methoxy-1-benzofuran-3-carboxylic acid

Structural Information

Molecular Formula
C10H8O4
SMILES
COC1=CC=CC2=C1OC=C2C(=O)O
InChI
InChI=1S/C10H8O4/c1-13-8-4-2-3-6-7(10(11)12)5-14-9(6)8/h2-5H,1H3,(H,11,12)
InChIKey
LBIXZQALKDMTIT-UHFFFAOYSA-N
Compound name
7-methoxy-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

192.04225 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 135.7
[M+Na]+ 215.03147 148.7
[M+NH4]+ 210.07607 143.7
[M+K]+ 231.00541 145.8
[M-H]- 191.03497 137.9
[M+Na-2H]- 213.01692 140.9
[M]+ 192.04170 138.1
[M]- 192.04280 138.1
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