CID 42608181

(-)-spirolepechinene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@H]1CCC[C@@]12C[C@H](CCC2=C)C(=C)C
InChI
InChI=1S/C15H24/c1-11(2)14-8-7-13(4)15(10-14)9-5-6-12(15)3/h12,14H,1,4-10H2,2-3H3/t12-,14-,15+/m0/s1
InChIKey
JKIOJKSBQRHQIE-AEGPPILISA-N
Compound name
(4S,5R,7S)-4-methyl-10-methylidene-7-prop-1-en-2-ylspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1878 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 151.2
[M+Na]+ 227.17702 156.1
[M-H]- 203.18052 156.0
[M+NH4]+ 222.22162 174.5
[M+K]+ 243.15096 152.3
[M+H-H2O]+ 187.18506 146.2
[M+HCOO]- 249.18600 168.1
[M+CH3COO]- 263.20165 188.1
[M+Na-2H]- 225.16247 150.3
[M]+ 204.18725 143.9
[M]- 204.18835 143.9
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.