CID 99899

Dtxsid90911590

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
3
Annotation Hits

14
References

52
Patents

250.15689 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.164166 160.3
[M+Na]+ 273.146108 165.8
[M-H]- 249.149614 167.8
[M+NH4]+ 268.190713 180.0
[M+K]+ 289.120048 166.4
[M+H-H2O]+ 233.154150 155.8
[M+HCOO]- 295.155091 179.8
[M+CH3COO]- 309.170741 193.7
[M+Na-2H]- 271.131556 160.9
[M]+ 250.15634142 162.6
[M]- 250.15743858 162.6
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.