CID 11095734

Aromadendrene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@@H]1CC[C@@H]2[C@@H]1[C@H]3[C@H](C3(C)C)CCC2=C
InChI
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10-,11+,12-,13-,14-/m1/s1
InChIKey
ITYNGVSTWVVPIC-XVIXHAIJSA-N
Compound name
(1aR,4aR,7R,7aR,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

35
References

1756
Patents

204.1878 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 142.3
[M+Na]+ 227.177018 150.1
[M-H]- 203.180524 149.1
[M+NH4]+ 222.221623 161.5
[M+K]+ 243.150958 148.0
[M+H-H2O]+ 187.185060 139.0
[M+HCOO]- 249.186001 158.3
[M+CH3COO]- 263.201651 154.4
[M+Na-2H]- 225.162466 144.5
[M]+ 204.18725142 139.8
[M]- 204.18834858 139.8
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

patents stripe