CID 746105

Acetic acid, (5-(4-methoxyphenyl)-3-oxo-2(3h)-furanylidene)-, ethyl ester

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]+ 275.091416 159.2
[M+Na]+ 297.073358 167.5
[M-H]- 273.076864 167.1
[M+NH4]+ 292.117963 176.0
[M+K]+ 313.047298 166.3
[M+H-H2O]+ 257.081400 152.8
[M+HCOO]- 319.082341 182.4
[M+CH3COO]- 333.097991 196.2
[M+Na-2H]- 295.058806 161.2
[M]+ 274.08359142 164.2
[M]- 274.08468858 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.