CID 3063112

Brn 4502450

Structural Information

Molecular Formula
C15H14O5
SMILES
CC(C1=CC=C(C=C1)OC2=CC=C(O2)C=O)C(=O)OC
InChI
InChI=1S/C15H14O5/c1-10(15(17)18-2)11-3-5-12(6-4-11)19-14-8-7-13(9-16)20-14/h3-10H,1-2H3
InChIKey
KUTZTFKLEPHZBW-UHFFFAOYSA-N
Compound name
methyl 2-[4-(5-formylfuran-2-yl)oxyphenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.08414 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09142 159.8
[M+Na]+ 297.07336 167.6
[M-H]- 273.07686 167.8
[M+NH4]+ 292.11796 176.3
[M+K]+ 313.04730 167.3
[M+H-H2O]+ 257.08140 153.1
[M+HCOO]- 319.08234 183.3
[M+CH3COO]- 333.09799 197.0
[M+Na-2H]- 295.05881 162.2
[M]+ 274.08359 165.9
[M]- 274.08469 165.9
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.