CID 69208

Ethyl 2,4-dioxovalerate

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

2
Annotation Hits: 1
References: 1615
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]+	159.065176	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

Literature stripe

literature stripe

Patent stripe

patents stripe