CID 12261378

4182-41-6

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

CC1=CC(=O)OC1(C)C

InChI

InChI=1S/C7H10O2/c1-5-4-6(8)9-7(5,2)3/h4H,1-3H3

InChIKey

ULWRKJUYKWNTOW-UHFFFAOYSA-N

Compound name

4,5,5-trimethylfuran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 126.06808 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]+	127.07536	122.7
[M+Na]+	149.05730	134.6
[M+NH4]+	144.10190	132.9
[M+K]+	165.03124	129.5
[M-H]-	125.06080	125.3
[M+Na-2H]-	147.04275	129.0
[M]+	126.06753	125.3
[M]-	126.06863	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe