CID 12093070

Chebi:180494

Structural Information

Molecular Formula
C15H24
SMILES
C[C@@H]1CCCC(C2=CC(=C)CC[C@@H]12)(C)C
InChI
InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,12-13H,1,5-9H2,2-4H3/t12-,13+/m1/s1
InChIKey
UPQOJPOSKCDZFM-OLZOCXBDSA-N
Compound name
(9R,9aS)-5,5,9-trimethyl-3-methylidene-2,6,7,8,9,9a-hexahydro-1H-benzo[7]annulene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1878 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 144.3
[M+Na]+ 227.17702 148.9
[M-H]- 203.18052 149.3
[M+NH4]+ 222.22162 165.5
[M+K]+ 243.15096 148.7
[M+H-H2O]+ 187.18506 140.3
[M+HCOO]- 249.18600 160.6
[M+CH3COO]- 263.20165 191.7
[M+Na-2H]- 225.16247 147.4
[M]+ 204.18725 137.1
[M]- 204.18835 137.1
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.