CID 6366581

Brn 5064342

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]+ 275.09142 158.3
[M+Na]+ 297.07336 167.6
[M-H]- 273.07686 166.7
[M+NH4]+ 292.11796 175.5
[M+K]+ 313.04730 166.4
[M+H-H2O]+ 257.08140 152.3
[M+HCOO]- 319.08234 181.5
[M+CH3COO]- 333.09799 197.5
[M+Na-2H]- 295.05881 159.8
[M]+ 274.08359 163.7
[M]- 274.08469 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.