CID 14830724

4-hydroxydehydromyoporone

Structural Information

Molecular Formula

C₁₅H₂₀O₄

SMILES

CC(=CC(=O)CC(C)(CCC(=O)C1=COC=C1)O)C

InChI

InChI=1S/C15H20O4/c1-11(2)8-13(16)9-15(3,18)6-4-14(17)12-5-7-19-10-12/h5,7-8,10,18H,4,6,9H2,1-3H3

InChIKey

GENURIBYATWERM-UHFFFAOYSA-N

Compound name

1-(furan-3-yl)-4-hydroxy-4,8-dimethylnon-7-ene-1,6-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 264.13617 Da
Monoisotopic Mass: 1.6
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]+	265.143446	163.8
[M+Na]+	287.125388	168.6
[M-H]-	263.128894	166.1
[M+NH4]+	282.169993	179.8
[M+K]+	303.099328	167.6
[M+H-H2O]+	247.133430	158.5
[M+HCOO]-	309.134371	181.6
[M+CH3COO]-	323.150021	194.5
[M+Na-2H]-	285.110836	164.5
[M]+	264.13562142	166.5
[M]-	264.13671858	166.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.