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 165.0
[M+Na]+ 289.14102 169.4
[M-H]- 265.14452 167.2
[M+NH4]+ 284.18562 181.0
[M+K]+ 305.11496 169.0
[M+H-H2O]+ 249.14906 159.6
[M+HCOO]- 311.15000 182.6
[M+CH3COO]- 325.16565 196.1
[M+Na-2H]- 287.12647 165.6
[M]+ 266.15125 168.5
[M]- 266.15235 168.5
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.