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 156.5
[M+Na]+ 259.16685 164.7
[M+NH4]+ 254.21145 168.7
[M+K]+ 275.14079 159.0
[M-H]- 235.17035 158.2
[M+Na-2H]- 257.15230 157.7
[M]+ 236.17708 158.3
[M]- 236.17818 158.3
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.