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 164.0
[M+Na]+ 303.12029 174.5
[M+NH4]+ 298.16489 169.5
[M+K]+ 319.09423 169.6
[M-H]- 279.12379 163.8
[M+Na-2H]- 301.10574 167.6
[M]+ 280.13052 165.1
[M]- 280.13162 165.1
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.