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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 163.8
[M+Na]+ 287.12539 168.6
[M-H]- 263.12889 166.1
[M+NH4]+ 282.16999 179.8
[M+K]+ 303.09933 167.6
[M+H-H2O]+ 247.13343 158.5
[M+HCOO]- 309.13437 181.6
[M+CH3COO]- 323.15002 194.5
[M+Na-2H]- 285.11084 164.5
[M]+ 264.13562 166.5
[M]- 264.13672 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.