CID 28896557

1-(furan-2-yl)pentane-1,3-dione

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

CCC(=O)CC(=O)C1=CC=CO1

InChI

InChI=1S/C9H10O3/c1-2-7(10)6-8(11)9-4-3-5-12-9/h3-5H,2,6H2,1H3

InChIKey

GLZJLELNCAOUIG-UHFFFAOYSA-N

Compound name

1-(furan-2-yl)pentane-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 166.06299 Da
Monoisotopic Mass: 0.8
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]+	167.07027	134.8
[M+Na]+	189.05221	145.1
[M+NH4]+	184.09681	142.1
[M+K]+	205.02615	142.6
[M-H]-	165.05571	136.1
[M+Na-2H]-	187.03766	138.8
[M]+	166.06244	136.3
[M]-	166.06354	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe