CID 3157346

5-(2-methoxyphenoxymethyl)furan-2-carboxylic acid

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

1
Patents

248.06847 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.075746 151.5
[M+Na]+ 271.057688 159.5
[M-H]- 247.061194 158.2
[M+NH4]+ 266.102293 168.4
[M+K]+ 287.031628 158.9
[M+H-H2O]+ 231.065730 145.1
[M+HCOO]- 293.066671 174.9
[M+CH3COO]- 307.082321 189.1
[M+Na-2H]- 269.043136 155.6
[M]+ 248.06792142 156.4
[M]- 248.06901858 156.4
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

patents stripe