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: 17
Patents: 278.11542 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	279.122696	161.4
[M+Na]+	301.104638	168.8
[M-H]-	277.108144	167.7
[M+NH4]+	296.149243	175.8
[M+K]+	317.078578	167.7
[M+H-H2O]+	261.112680	154.1
[M+HCOO]-	323.113621	181.4
[M+CH3COO]-	337.129271	197.6
[M+Na-2H]-	299.090086	164.8
[M]+	278.11487142	165.0
[M]-	278.11596858	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe