CID 746105

Brn 5054720

Structural Information

Molecular Formula
C15H14O5
SMILES
CCOC(=O)/C=C/1\C(=O)C=C(O1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C15H14O5/c1-3-19-15(17)9-14-12(16)8-13(20-14)10-4-6-11(18-2)7-5-10/h4-9H,3H2,1-2H3/b14-9+
InChIKey
SZODTBREEKQDET-NTEUORMPSA-N
Compound name
ethyl (2E)-2-[5-(4-methoxyphenyl)-3-oxofuran-2-ylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.08414 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09142 159.2
[M+Na]+ 297.07336 167.5
[M-H]- 273.07686 167.1
[M+NH4]+ 292.11796 176.0
[M+K]+ 313.04730 166.3
[M+H-H2O]+ 257.08140 152.8
[M+HCOO]- 319.08234 182.4
[M+CH3COO]- 333.09799 196.2
[M+Na-2H]- 295.05881 161.2
[M]+ 274.08359 164.2
[M]- 274.08469 164.2
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.