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]+ 275.091416 159.8
[M+Na]+ 297.073358 167.6
[M-H]- 273.076864 167.8
[M+NH4]+ 292.117963 176.3
[M+K]+ 313.047298 167.3
[M+H-H2O]+ 257.081400 153.1
[M+HCOO]- 319.082341 183.3
[M+CH3COO]- 333.097991 197.0
[M+Na-2H]- 295.058806 162.2
[M]+ 274.08359142 165.9
[M]- 274.08468858 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.