CID 131751444

6-[(3-hydroxy-5-methoxyphenyl)methyl]-2-methyl-2,3-dihydropyran-4-one

Structural Information

Molecular Formula
C14H16O4
SMILES
CC1CC(=O)C=C(O1)CC2=CC(=CC(=C2)OC)O
InChI
InChI=1S/C14H16O4/c1-9-3-11(15)8-14(18-9)6-10-4-12(16)7-13(5-10)17-2/h4-5,7-9,16H,3,6H2,1-2H3
InChIKey
WMCPLZDBHVOXCJ-UHFFFAOYSA-N
Compound name
6-[(3-hydroxy-5-methoxyphenyl)methyl]-2-methyl-2,3-dihydropyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.10486 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.112136 153.9
[M+Na]+ 271.094078 162.0
[M-H]- 247.097584 160.5
[M+NH4]+ 266.138683 169.6
[M+K]+ 287.068018 160.4
[M+H-H2O]+ 231.102120 147.1
[M+HCOO]- 293.103061 174.1
[M+CH3COO]- 307.118711 192.4
[M+Na-2H]- 269.079526 157.8
[M]+ 248.10431142 155.7
[M]- 248.10540858 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.