CID 42608165

3(15)-africanene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@@]12C[C@@H]1CC(C[C@H]3[C@@H]2CCC3=C)(C)C
InChI
InChI=1S/C15H24/c1-10-5-6-13-12(10)9-14(2,3)7-11-8-15(11,13)4/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,15+/m0/s1
InChIKey
WXGMXZIDGRJJPK-SFDCQRBFSA-N
Compound name
(1aS,4aS,7aS,7bR)-3,3,7b-trimethyl-5-methylidene-1,1a,2,4,4a,6,7,7a-octahydrocyclopropa[e]azulene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1878 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 143.7
[M+Na]+ 227.17702 151.4
[M-H]- 203.18052 150.5
[M+NH4]+ 222.22162 164.3
[M+K]+ 243.15096 149.5
[M+H-H2O]+ 187.18506 140.5
[M+HCOO]- 249.18600 159.3
[M+CH3COO]- 263.20165 155.7
[M+Na-2H]- 225.16247 147.1
[M]+ 204.18725 141.1
[M]- 204.18835 141.1
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.