CID 41493

4-hydroxymyoporone

Structural Information

Molecular Formula
C15H22O4
SMILES
CC(C)CC(=O)CC(C)(CCC(=O)C1=COC=C1)O
InChI
InChI=1S/C15H22O4/c1-11(2)8-13(16)9-15(3,18)6-4-14(17)12-5-7-19-10-12/h5,7,10-11,18H,4,6,8-9H2,1-3H3
InChIKey
SUMMQMXACBFGLA-UHFFFAOYSA-N
Compound name
1-(furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

266.1518 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 163.5
[M+Na]+ 289.14102 170.8
[M+NH4]+ 284.18562 168.4
[M+K]+ 305.11496 169.9
[M-H]- 265.14452 162.6
[M+Na-2H]- 287.12647 164.5
[M]+ 266.15125 163.9
[M]- 266.15235 163.9
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.