CID 13759260

Ethyl 4-(2-methoxyphenyl)-2,4-dioxobutanoate

Structural Information

Molecular Formula
C13H14O5
SMILES
CCOC(=O)C(=O)CC(=O)C1=CC=CC=C1OC
InChI
InChI=1S/C13H14O5/c1-3-18-13(16)11(15)8-10(14)9-6-4-5-7-12(9)17-2/h4-7H,3,8H2,1-2H3
InChIKey
VVHWVQNWVGXDAH-UHFFFAOYSA-N
Compound name
ethyl 4-(2-methoxyphenyl)-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

250.08412 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09140 153.2
[M+Na]+ 273.07334 159.7
[M-H]- 249.07684 156.7
[M+NH4]+ 268.11794 170.0
[M+K]+ 289.04728 159.3
[M+H-H2O]+ 233.08138 146.7
[M+HCOO]- 295.08232 175.2
[M+CH3COO]- 309.09797 194.1
[M+Na-2H]- 271.05879 155.1
[M]+ 250.08357 158.2
[M]- 250.08467 158.2
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

patents stripe