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]+ 237.18491 156.8
[M+Na]+ 259.16685 164.3
[M-H]- 235.17035 160.9
[M+NH4]+ 254.21145 183.7
[M+K]+ 275.14079 161.9
[M+H-H2O]+ 219.17489 154.0
[M+HCOO]- 281.17583 171.4
[M+CH3COO]- 295.19148 194.5
[M+Na-2H]- 257.15230 158.7
[M]+ 236.17708 156.4
[M]- 236.17818 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.