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]+ 249.11214 153.9
[M+Na]+ 271.09408 162.0
[M-H]- 247.09758 160.5
[M+NH4]+ 266.13868 169.6
[M+K]+ 287.06802 160.4
[M+H-H2O]+ 231.10212 147.1
[M+HCOO]- 293.10306 174.1
[M+CH3COO]- 307.11871 192.4
[M+Na-2H]- 269.07953 157.8
[M]+ 248.10431 155.7
[M]- 248.10541 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.