CID 16779961

Ethyl 4-cyclopropyl-2,4-dioxobutanoate

Structural Information

Molecular Formula

C₉H₁₂O₄

SMILES

CCOC(=O)C(=O)CC(=O)C1CC1

InChI

InChI=1S/C9H12O4/c1-2-13-9(12)8(11)5-7(10)6-3-4-6/h6H,2-5H2,1H3

InChIKey

MHKXVJFDESXWFH-UHFFFAOYSA-N

Compound name

ethyl 4-cyclopropyl-2,4-dioxobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 156
Patents: 184.07356 Da
Monoisotopic Mass: 0.7
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]+	185.08084	140.7
[M+Na]+	207.06278	150.6
[M+NH4]+	202.10738	147.3
[M+K]+	223.03672	148.7
[M-H]-	183.06628	146.2
[M+Na-2H]-	205.04823	145.7
[M]+	184.07301	144.3
[M]-	184.07411	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe