CID 586508

11-hydroxy-12-methoxydihydrokawain

Structural Information

Molecular Formula
C15H18O5
SMILES
COC1=CC(=O)OC(C1)CCC2=CC(=C(C=C2)OC)O
InChI
InChI=1S/C15H18O5/c1-18-12-8-11(20-15(17)9-12)5-3-10-4-6-14(19-2)13(16)7-10/h4,6-7,9,11,16H,3,5,8H2,1-2H3
InChIKey
QQLVNWDQIUZGJM-UHFFFAOYSA-N
Compound name
2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

278.11542 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12270 162.1
[M+Na]+ 301.10464 175.0
[M+NH4]+ 296.14924 168.8
[M+K]+ 317.07858 169.4
[M-H]- 277.10814 166.1
[M+Na-2H]- 299.09009 167.4
[M]+ 278.11487 165.0
[M]- 278.11597 165.0
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

patents stripe