CID 15921797

Ethyl 3,4-dioxopentanoate

Structural Information

Molecular Formula
C7H10O4
SMILES
CCOC(=O)CC(=O)C(=O)C
InChI
InChI=1S/C7H10O4/c1-3-11-7(10)4-6(9)5(2)8/h3-4H2,1-2H3
InChIKey
VBEKXCGDSLJSKS-UHFFFAOYSA-N
Compound name
ethyl 3,4-dioxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

158.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.065176 130.6
[M+Na]+ 181.047118 137.7
[M-H]- 157.050624 131.1
[M+NH4]+ 176.091723 151.4
[M+K]+ 197.021058 138.7
[M+H-H2O]+ 141.055160 126.0
[M+HCOO]- 203.056101 152.8
[M+CH3COO]- 217.071751 177.3
[M+Na-2H]- 179.032566 133.7
[M]+ 158.05735142 134.1
[M]- 158.05844858 134.1
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