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 161.4
[M+Na]+ 301.10464 168.8
[M-H]- 277.10814 167.7
[M+NH4]+ 296.14924 175.8
[M+K]+ 317.07858 167.7
[M+H-H2O]+ 261.11268 154.1
[M+HCOO]- 323.11362 181.4
[M+CH3COO]- 337.12927 197.6
[M+Na-2H]- 299.09009 164.8
[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