CID 15484922

Brasila-5,10-diene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@H]1CCC2=C(CC(C[C@H]12)(C)C)C(=C)C
InChI
InChI=1S/C15H24/c1-10(2)13-8-15(4,5)9-14-11(3)6-7-12(13)14/h11,14H,1,6-9H2,2-5H3/t11-,14+/m0/s1
InChIKey
KUBSAWBFAOYMLQ-SMDDNHRTSA-N
Compound name
(3S,3aR)-3,5,5-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,6-hexahydroindene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1878 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 149.6
[M+Na]+ 227.17702 156.6
[M-H]- 203.18052 153.8
[M+NH4]+ 222.22162 174.2
[M+K]+ 243.15096 153.1
[M+H-H2O]+ 187.18506 145.3
[M+HCOO]- 249.18600 167.6
[M+CH3COO]- 263.20165 190.9
[M+Na-2H]- 225.16247 150.2
[M]+ 204.18725 146.8
[M]- 204.18835 146.8
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.