CID 213591

Ipomeamaronol

Structural Information

Molecular Formula
C15H22O4
SMILES
CC(CC(=O)CC1(CCC(O1)C2=COC=C2)C)CO
InChI
InChI=1S/C15H22O4/c1-11(9-16)7-13(17)8-15(2)5-3-14(19-15)12-4-6-18-10-12/h4,6,10-11,14,16H,3,5,7-9H2,1-2H3
InChIKey
LKVKWNDXOWODLO-UHFFFAOYSA-N
Compound name
1-[5-(furan-3-yl)-2-methyloxolan-2-yl]-5-hydroxy-4-methylpentan-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

266.1518 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 162.2
[M+Na]+ 289.14102 170.1
[M+NH4]+ 284.18562 169.9
[M+K]+ 305.11496 168.4
[M-H]- 265.14452 165.4
[M+Na-2H]- 287.12647 165.3
[M]+ 266.15125 164.1
[M]- 266.15235 164.1
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.