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 156.5
[M+Na]+ 289.06826 166.7
[M+NH4]+ 284.11286 161.4
[M+K]+ 305.04220 163.6
[M-H]- 265.07176 155.4
[M+Na-2H]- 287.05371 159.8
[M]+ 266.07849 157.2
[M]- 266.07959 157.2
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.