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
1
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]+ 205.19508 150.9
[M+Na]+ 227.17702 157.5
[M-H]- 203.18052 154.8
[M+NH4]+ 222.22162 179.8
[M+K]+ 243.15096 153.5
[M+H-H2O]+ 187.18506 145.4
[M+HCOO]- 249.18600 166.6
[M+CH3COO]- 263.20165 162.9
[M+Na-2H]- 225.16247 156.6
[M]+ 204.18725 146.9
[M]- 204.18835 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.