CID 1266840

5-((4-formyl-2-methoxyphenoxy)methyl)furan-2-carboxylic acid

Structural Information

Molecular Formula

C₁₄H₁₂O₆

SMILES

COC1=C(C=CC(=C1)C=O)OCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C14H12O6/c1-18-13-6-9(7-15)2-4-11(13)19-8-10-3-5-12(20-10)14(16)17/h2-7H,8H2,1H3,(H,16,17)

InChIKey

FCESSRUJLIKRKP-UHFFFAOYSA-N

Compound name

5-[(4-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 276.0634 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]+	277.070676	157.1
[M+Na]+	299.052618	165.7
[M-H]-	275.056124	164.1
[M+NH4]+	294.097223	173.0
[M+K]+	315.026558	165.0
[M+H-H2O]+	259.060660	150.7
[M+HCOO]-	321.061601	180.5
[M+CH3COO]-	335.077251	194.8
[M+Na-2H]-	297.038066	160.3
[M]+	276.06285142	163.6
[M]-	276.06394858	163.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.