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

17
Patents

250.08412 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.091396 153.2
[M+Na]+ 273.073338 159.7
[M-H]- 249.076844 156.7
[M+NH4]+ 268.117943 170.0
[M+K]+ 289.047278 159.3
[M+H-H2O]+ 233.081380 146.7
[M+HCOO]- 295.082321 175.2
[M+CH3COO]- 309.097971 194.1
[M+Na-2H]- 271.058786 155.1
[M]+ 250.08357142 158.2
[M]- 250.08466858 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