CID 101078513

African-3-ene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=CC[C@@H]2[C@@H]1CC(C[C@@H]3[C@]2(C3)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/h5,11-13H,6-9H2,1-4H3/t11-,12+,13+,15+/m0/s1
InChIKey
LOWGZUQIXFZBPD-KYEXWDHISA-N
Compound name
(1aS,4aS,7aR,7bR)-3,3,5,7b-tetramethyl-1a,2,4,4a,7,7a-hexahydro-1H-cyclopropa[e]azulene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

204.1878 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 142.9
[M+Na]+ 227.17702 151.3
[M-H]- 203.18052 150.0
[M+NH4]+ 222.22162 163.7
[M+K]+ 243.15096 149.9
[M+H-H2O]+ 187.18506 139.7
[M+HCOO]- 249.18600 159.8
[M+CH3COO]- 263.20165 155.4
[M+Na-2H]- 225.16247 147.3
[M]+ 204.18725 142.3
[M]- 204.18835 142.3
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

patents stripe