CID 266841

101499-71-2

Structural Information

Molecular Formula
C15H20O5
SMILES
CCOC(=O)CCCC(=O)C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C15H20O5/c1-4-20-15(17)7-5-6-12(16)11-8-9-13(18-2)14(10-11)19-3/h8-10H,4-7H2,1-3H3
InChIKey
JGSWJILZJRDXFJ-UHFFFAOYSA-N
Compound name
ethyl 5-(3,4-dimethoxyphenyl)-5-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13107 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13835 163.4
[M+Na]+ 303.12029 169.9
[M-H]- 279.12379 166.7
[M+NH4]+ 298.16489 179.5
[M+K]+ 319.09423 169.1
[M+H-H2O]+ 263.12833 156.4
[M+HCOO]- 325.12927 185.5
[M+CH3COO]- 339.14492 201.2
[M+Na-2H]- 301.10574 164.7
[M]+ 280.13052 170.8
[M]- 280.13162 170.8
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.