CID 215605

35882-03-2

Structural Information

Molecular Formula

C₁₂H₁₀O₅

SMILES

CC(=O)C1=COC2=C1C=C(C=C2)OCC(=O)O

InChI

InChI=1S/C12H10O5/c1-7(13)10-5-17-11-3-2-8(4-9(10)11)16-6-12(14)15/h2-5H,6H2,1H3,(H,14,15)

InChIKey

WKBUOKFWRRIHDJ-UHFFFAOYSA-N

Compound name

2-[(3-acetyl-1-benzofuran-5-yl)oxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 234.05283 Da
Monoisotopic Mass: 1.6
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]+	235.060106	146.5
[M+Na]+	257.042048	156.1
[M-H]-	233.045554	151.4
[M+NH4]+	252.086653	165.3
[M+K]+	273.015988	155.3
[M+H-H2O]+	217.050090	141.3
[M+HCOO]-	279.051031	169.2
[M+CH3COO]-	293.066681	187.7
[M+Na-2H]-	255.027496	151.7
[M]+	234.05228142	152.6
[M]-	234.05337858	152.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.