CID 3006753

Ethyl 4-(furan-2-yl)-2,4-dioxobutanoate

Structural Information

Molecular Formula

C₁₀H₁₀O₅

SMILES

CCOC(=O)C(=O)CC(=O)C1=CC=CO1

InChI

InChI=1S/C10H10O5/c1-2-14-10(13)8(12)6-7(11)9-4-3-5-15-9/h3-5H,2,6H2,1H3

InChIKey

VIOCWOOZQZAFOR-UHFFFAOYSA-N

Compound name

ethyl 4-(furan-2-yl)-2,4-dioxobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 106
Patents: 210.05283 Da
Monoisotopic Mass: 1.3
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]+	211.06011	143.6
[M+Na]+	233.04205	150.4
[M-H]-	209.04555	147.8
[M+NH4]+	228.08665	162.3
[M+K]+	249.01599	151.6
[M+H-H2O]+	193.05009	138.0
[M+HCOO]-	255.05103	166.4
[M+CH3COO]-	269.06668	183.9
[M+Na-2H]-	231.02750	146.5
[M]+	210.05228	148.3
[M]-	210.05338	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe