CID 2772205

Methyl 4-(3,4-dimethoxyphenyl)-2,4-dioxobutanoate

Structural Information

Molecular Formula
C13H14O6
SMILES
COC1=C(C=C(C=C1)C(=O)CC(=O)C(=O)OC)OC
InChI
InChI=1S/C13H14O6/c1-17-11-5-4-8(6-12(11)18-2)9(14)7-10(15)13(16)19-3/h4-6H,7H2,1-3H3
InChIKey
NWCXDAYQOSEQQS-UHFFFAOYSA-N
Compound name
methyl 4-(3,4-dimethoxyphenyl)-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

266.07904 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.086316 154.5
[M+Na]+ 289.068258 161.8
[M-H]- 265.071764 158.4
[M+NH4]+ 284.112863 170.9
[M+K]+ 305.042198 162.1
[M+H-H2O]+ 249.076300 148.0
[M+HCOO]- 311.077241 176.7
[M+CH3COO]- 325.092891 197.5
[M+Na-2H]- 287.053706 156.0
[M]+ 266.07849142 161.4
[M]- 266.07958858 161.4
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

patents stripe