CID 736818

69716-05-8

Structural Information

Molecular Formula

C₁₁H₁₀O₄

SMILES

COC1=CC2=C(C=C1)C(=CO2)CC(=O)O

InChI

InChI=1S/C11H10O4/c1-14-8-2-3-9-7(4-11(12)13)6-15-10(9)5-8/h2-3,5-6H,4H2,1H3,(H,12,13)

InChIKey

QCXJFLREQGIACT-UHFFFAOYSA-N

Compound name

2-(6-methoxy-1-benzofuran-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 152
Patents: 206.0579 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]+	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

Literature stripe

literature stripe

Patent stripe

patents stripe