CID 16432728

23455-49-4

Structural Information

Molecular Formula

C₁₀H₈O₄

SMILES

COC1=CC2=C(C=C1)OC=C2C(=O)O

InChI

InChI=1S/C10H8O4/c1-13-6-2-3-9-7(4-6)8(5-14-9)10(11)12/h2-5H,1H3,(H,11,12)

InChIKey

YQUJKKPVLBKITF-UHFFFAOYSA-N

Compound name

5-methoxy-1-benzofuran-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 192.04225 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe