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
4
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]+ 253.17983 165.8
[M+Na]+ 275.16177 169.3
[M-H]- 251.16527 167.7
[M+NH4]+ 270.20637 182.2
[M+K]+ 291.13571 168.9
[M+H-H2O]+ 235.16981 159.7
[M+HCOO]- 297.17075 183.4
[M+CH3COO]- 311.18640 195.4
[M+Na-2H]- 273.14722 163.8
[M]+ 252.17200 168.3
[M]- 252.17310 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.