CID 51551

Dihydromyoporone

Structural Information

Molecular Formula
C15H24O3
SMILES
CC(C)CC(CC(C)CCC(=O)C1=COC=C1)O
InChI
InChI=1S/C15H24O3/c1-11(2)8-14(16)9-12(3)4-5-15(17)13-6-7-18-10-13/h6-7,10-12,14,16H,4-5,8-9H2,1-3H3
InChIKey
BROZQMCDYUJKFQ-UHFFFAOYSA-N
Compound name
1-(furan-3-yl)-6-hydroxy-4,8-dimethylnonan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

252.17255 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.179826 165.8
[M+Na]+ 275.161768 169.3
[M-H]- 251.165274 167.7
[M+NH4]+ 270.206373 182.2
[M+K]+ 291.135708 168.9
[M+H-H2O]+ 235.169810 159.7
[M+HCOO]- 297.170751 183.4
[M+CH3COO]- 311.186401 195.4
[M+Na-2H]- 273.147216 163.8
[M]+ 252.17200142 168.3
[M]- 252.17309858 168.3
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.