CID 69208

Ethyl 2,4-dioxopentanoate

Structural Information

Molecular Formula

C₇H₁₀O₄

SMILES

CCOC(=O)C(=O)CC(=O)C

InChI

InChI=1S/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h3-4H2,1-2H3

InChIKey

OYQVQWIASIXXRT-UHFFFAOYSA-N

Compound name

ethyl 2,4-dioxopentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1563
Patents: 158.0579 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	159.06518	132.8
[M+Na]+	181.04712	141.4
[M+NH4]+	176.09172	138.5
[M+K]+	197.02106	138.5
[M-H]-	157.05062	129.9
[M+Na-2H]-	179.03257	134.3
[M]+	158.05735	132.7
[M]-	158.05845	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe