CID 99899

Ipomeamarone

Structural Information

Molecular Formula
C15H22O3
SMILES
CC(C)CC(=O)CC1(CCC(O1)C2=COC=C2)C
InChI
InChI=1S/C15H22O3/c1-11(2)8-13(16)9-15(3)6-4-14(18-15)12-5-7-17-10-12/h5,7,10-11,14H,4,6,8-9H2,1-3H3
InChIKey
WOFDWNOSFDVCDF-UHFFFAOYSA-N
Compound name
1-[5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

49
Patents

250.15689 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 158.7
[M+Na]+ 273.14611 167.7
[M+NH4]+ 268.19071 167.4
[M+K]+ 289.12005 165.1
[M-H]- 249.14961 162.9
[M+Na-2H]- 271.13156 162.9
[M]+ 250.15634 161.1
[M]- 250.15744 161.1
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

patents stripe