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

0
Patents

266.07904 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.08632 154.5
[M+Na]+ 289.06826 161.8
[M-H]- 265.07176 158.4
[M+NH4]+ 284.11286 170.9
[M+K]+ 305.04220 162.1
[M+H-H2O]+ 249.07630 148.0
[M+HCOO]- 311.07724 176.7
[M+CH3COO]- 325.09289 197.5
[M+Na-2H]- 287.05371 156.0
[M]+ 266.07849 161.4
[M]- 266.07959 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