CID 93081

Beta-cubebene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@@H]1CC[C@H]([C@H]2[C@]13[C@@H]2C(=C)CC3)C(C)C
InChI
InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14-,15+/m1/s1
InChIKey
FSRZGYRCMPZNJF-KHMAMNHCSA-N
Compound name
(1R,5S,6R,7S,10R)-10-methyl-4-methylidene-7-propan-2-yltricyclo[4.4.0.01,5]decane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

0
References

328
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 149.1
[M+Na]+ 227.177018 157.3
[M-H]- 203.180524 155.2
[M+NH4]+ 222.221623 169.0
[M+K]+ 243.150958 153.3
[M+H-H2O]+ 187.185060 144.4
[M+HCOO]- 249.186001 165.1
[M+CH3COO]- 263.201651 194.2
[M+Na-2H]- 225.162466 150.1
[M]+ 204.18725142 148.6
[M]- 204.18834858 148.6
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