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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07068 157.1
[M+Na]+ 299.05262 165.7
[M-H]- 275.05612 164.1
[M+NH4]+ 294.09722 173.0
[M+K]+ 315.02656 165.0
[M+H-H2O]+ 259.06066 150.7
[M+HCOO]- 321.06160 180.5
[M+CH3COO]- 335.07725 194.8
[M+Na-2H]- 297.03807 160.3
[M]+ 276.06285 163.6
[M]- 276.06395 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.