CID 3157346

339292-54-5

Structural Information

Molecular Formula

C₁₃H₁₂O₅

SMILES

COC1=CC=CC=C1OCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C13H12O5/c1-16-10-4-2-3-5-11(10)17-8-9-6-7-12(18-9)13(14)15/h2-7H,8H2,1H3,(H,14,15)

InChIKey

XJPSQFNUKMCBOD-UHFFFAOYSA-N

Compound name

5-[(2-methoxyphenoxy)methyl]furan-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 248.06847 Da
Monoisotopic Mass: 2.3
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]+	249.07575	152.7
[M+Na]+	271.05769	164.7
[M+NH4]+	266.10229	159.5
[M+K]+	287.03163	162.0
[M-H]-	247.06119	155.9
[M+Na-2H]-	269.04314	158.5
[M]+	248.06792	155.2
[M]-	248.06902	155.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.