CID 506532

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

Structural Information

Molecular Formula
C12H12O3
SMILES
CC1C=C(C(=O)O1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C12H12O3/c1-8-7-11(12(13)15-8)9-3-5-10(14-2)6-4-9/h3-8H,1-2H3
InChIKey
BJWLLZGXINITLH-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-2-methyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

204.07864 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.