CID 131751992

Beta-kessyl ketone

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1CC(=O)C2C1CC3(CCC2(O3)C)C(C)C
InChI
InChI=1S/C15H24O2/c1-9(2)15-6-5-14(4,17-15)13-11(8-15)10(3)7-12(13)16/h9-11,13H,5-8H2,1-4H3
InChIKey
CSLBUZGPLRECOR-UHFFFAOYSA-N
Compound name
1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 156.8
[M+Na]+ 259.166848 164.3
[M-H]- 235.170354 160.9
[M+NH4]+ 254.211453 183.7
[M+K]+ 275.140788 161.9
[M+H-H2O]+ 219.174890 154.0
[M+HCOO]- 281.175831 171.4
[M+CH3COO]- 295.191481 194.5
[M+Na-2H]- 257.152296 158.7
[M]+ 236.17708142 156.4
[M]- 236.17817858 156.4
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.