CID 2436052

735336-36-4

Structural Information

Molecular Formula
C14H14O5
SMILES
CC1=C(C=C(O1)COC2=CC=C(C=C2)OC)C(=O)O
InChI
InChI=1S/C14H14O5/c1-9-13(14(15)16)7-12(19-9)8-18-11-5-3-10(17-2)4-6-11/h3-7H,8H2,1-2H3,(H,15,16)
InChIKey
DEAUUAZEQGZVQZ-UHFFFAOYSA-N
Compound name
5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.08414 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09142 155.8
[M+Na]+ 285.07336 164.3
[M-H]- 261.07686 162.7
[M+NH4]+ 280.11796 172.4
[M+K]+ 301.04730 163.5
[M+H-H2O]+ 245.08140 149.5
[M+HCOO]- 307.08234 178.8
[M+CH3COO]- 321.09799 193.3
[M+Na-2H]- 283.05881 158.8
[M]+ 262.08359 161.5
[M]- 262.08469 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.