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
4
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 163.8
[M+Na]+ 289.14102 168.7
[M-H]- 265.14452 169.9
[M+NH4]+ 284.18562 182.0
[M+K]+ 305.11496 169.0
[M+H-H2O]+ 249.14906 159.4
[M+HCOO]- 311.15000 182.0
[M+CH3COO]- 325.16565 193.3
[M+Na-2H]- 287.12647 164.2
[M]+ 266.15125 165.7
[M]- 266.15235 165.7
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.