CID 579676

3-acetyl-2,4-dimethylfuran

Structural Information

Molecular Formula

C₈H₁₀O₂

SMILES

CC1=COC(=C1C(=O)C)C

InChI

InChI=1S/C8H10O2/c1-5-4-10-7(3)8(5)6(2)9/h4H,1-3H3

InChIKey

LNBHNHANEHGMAQ-UHFFFAOYSA-N

Compound name

1-(2,4-dimethylfuran-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 138.06808 Da
Monoisotopic Mass: 1.4
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]+	139.07536	126.5
[M+Na]+	161.05730	138.6
[M+NH4]+	156.10190	135.0
[M+K]+	177.03124	135.6
[M-H]-	137.06080	129.0
[M+Na-2H]-	159.04275	131.4
[M]+	138.06753	128.9
[M]-	138.06863	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe