CID 674296

29735-88-4

Structural Information

Molecular Formula

C₁₁H₁₀O₄

SMILES

CC1=C(C2=C(O1)C=CC(=C2)OC)C(=O)O

InChI

InChI=1S/C11H10O4/c1-6-10(11(12)13)8-5-7(14-2)3-4-9(8)15-6/h3-5H,1-2H3,(H,12,13)

InChIKey

RSHSSGDUMLTSEG-UHFFFAOYSA-N

Compound name

5-methoxy-2-methyl-1-benzofuran-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 40
Patents: 206.0579 Da
Monoisotopic Mass: 2.2
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	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

Literature stripe

literature stripe

Patent stripe

patents stripe