CID 6366581

97180-84-2

Structural Information

Molecular Formula
C15H14O5
SMILES
CC1=C(O/C(=C/C(=O)OC)/C1=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C15H14O5/c1-9-14(17)12(8-13(16)19-3)20-15(9)10-4-6-11(18-2)7-5-10/h4-8H,1-3H3/b12-8+
InChIKey
QDXBWYVMUJULHL-XYOKQWHBSA-N
Compound name
methyl (2E)-2-[5-(4-methoxyphenyl)-4-methyl-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 158.3
[M+Na]+ 297.073358 167.6
[M-H]- 273.076864 166.7
[M+NH4]+ 292.117963 175.5
[M+K]+ 313.047298 166.4
[M+H-H2O]+ 257.081400 152.3
[M+HCOO]- 319.082341 181.5
[M+CH3COO]- 333.097991 197.5
[M+Na-2H]- 295.058806 159.8
[M]+ 274.08359142 163.7
[M]- 274.08468858 163.7
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.