CID 506533

4-(3-methoxyphenyl)-2-methyl-2h-furan-5-one

Structural Information

Molecular Formula

C₁₂H₁₂O₃

SMILES

CC1C=C(C(=O)O1)C2=CC(=CC=C2)OC

InChI

InChI=1S/C12H12O3/c1-8-6-11(12(13)15-8)9-4-3-5-10(7-9)14-2/h3-8H,1-2H3

InChIKey

LGVYLFRLCHCRQB-UHFFFAOYSA-N

Compound name

4-(3-methoxyphenyl)-2-methyl-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 204.07864 Da
Monoisotopic Mass: 2.2
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]+	205.08592	140.9
[M+Na]+	227.06786	150.5
[M-H]-	203.07136	149.2
[M+NH4]+	222.11246	160.9
[M+K]+	243.04180	149.5
[M+H-H2O]+	187.07590	135.3
[M+HCOO]-	249.07684	165.4
[M+CH3COO]-	263.09249	184.9
[M+Na-2H]-	225.05331	145.6
[M]+	204.07809	144.2
[M]-	204.07919	144.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.