CID 10086155

Yye85ym58k

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=C(C(=O)C(=C(/C=C/C2=CC=CC=C2)OC)C1=O)OC
InChI
InChI=1S/C17H16O5/c1-20-12(10-9-11-7-5-4-6-8-11)13-14(18)16(21-2)17(22-3)15(13)19/h4-10H,1-3H3/b10-9+
InChIKey
KXRUALBXWXRUTD-MDZDMXLPSA-N
Compound name
4,5-dimethoxy-2-[(E)-1-methoxy-3-phenylprop-2-enylidene]cyclopent-4-ene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

300.09976 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 166.0
[M+Na]+ 323.08898 174.4
[M-H]- 299.09248 173.3
[M+NH4]+ 318.13358 183.2
[M+K]+ 339.06292 171.3
[M+H-H2O]+ 283.09702 159.4
[M+HCOO]- 345.09796 189.5
[M+CH3COO]- 359.11361 202.6
[M+Na-2H]- 321.07443 165.5
[M]+ 300.09921 170.7
[M]- 300.10031 170.7
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.