CID 5938177

Brn 5040319

Structural Information

Molecular Formula
C15H14O4
SMILES
CCOC(=O)/C=C/1\C(=O)C=C(O1)C2=CC=C(C=C2)C
InChI
InChI=1S/C15H14O4/c1-3-18-15(17)9-14-12(16)8-13(19-14)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3/b14-9+
InChIKey
NRTCXTQGGHYEJO-NTEUORMPSA-N
Compound name
ethyl (2E)-2-[5-(4-methylphenyl)-3-oxofuran-2-ylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0892 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 157.7
[M+Na]+ 281.07842 169.9
[M+NH4]+ 276.12302 164.5
[M+K]+ 297.05236 166.1
[M-H]- 257.08192 161.2
[M+Na-2H]- 279.06387 162.7
[M]+ 258.08865 160.3
[M]- 258.08975 160.3
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.