CID 10102

Clovene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@@]12CCC[C@]3(C1)C=CC([C@@H]3CC2)(C)C
InChI
InChI=1S/C15H24/c1-13(2)9-10-15-7-4-6-14(3,11-15)8-5-12(13)15/h9-10,12H,4-8,11H2,1-3H3/t12-,14-,15+/m0/s1
InChIKey
MKZIRHIVARSBHI-AEGPPILISA-N
Compound name
(1S,5S,8S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodec-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

204.1878 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 150.9
[M+Na]+ 227.177018 157.5
[M-H]- 203.180524 154.8
[M+NH4]+ 222.221623 179.8
[M+K]+ 243.150958 153.5
[M+H-H2O]+ 187.185060 145.4
[M+HCOO]- 249.186001 166.6
[M+CH3COO]- 263.201651 162.9
[M+Na-2H]- 225.162466 156.6
[M]+ 204.18725142 146.9
[M]- 204.18834858 146.9
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.