CID 40303

10-hydroxymyoporone

Structural Information

Molecular Formula
C15H22O4
SMILES
CC(C)C(C(=O)CC(C)CCC(=O)C1=COC=C1)O
InChI
InChI=1S/C15H22O4/c1-10(2)15(18)14(17)8-11(3)4-5-13(16)12-6-7-19-9-12/h6-7,9-11,15,18H,4-5,8H2,1-3H3
InChIKey
HCPDJZNVPUCXHZ-UHFFFAOYSA-N
Compound name
1-(furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5
Patents

266.1518 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 167.1
[M+Na]+ 289.14102 170.5
[M-H]- 265.14452 169.1
[M+NH4]+ 284.18562 182.7
[M+K]+ 305.11496 170.6
[M+H-H2O]+ 249.14906 161.1
[M+HCOO]- 311.15000 184.1
[M+CH3COO]- 325.16565 197.6
[M+Na-2H]- 287.12647 164.1
[M]+ 266.15125 169.7
[M]- 266.15235 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.