CID 53426546

4-acetyl-2,5-dimethylfuran-3(2h)-one

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

CC1C(=O)C(=C(O1)C)C(=O)C

InChI

InChI=1S/C8H10O3/c1-4(9)7-5(2)11-6(3)8(7)10/h6H,1-3H3

InChIKey

PAQLUNHARDKSPD-UHFFFAOYSA-N

Compound name

4-acetyl-2,5-dimethylfuran-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 62
Patents: 154.06299 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]+	155.07027	130.2
[M+Na]+	177.05221	141.3
[M+NH4]+	172.09681	137.8
[M+K]+	193.02615	139.1
[M-H]-	153.05571	131.8
[M+Na-2H]-	175.03766	133.4
[M]+	154.06244	132.0
[M]-	154.06354	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe