CID 62566

Beta-bourbonene

Structural Information

Molecular Formula
C15H24
SMILES
CC(C)[C@@H]1CC[C@@]2([C@H]1[C@@H]3[C@H]2CCC3=C)C
InChI
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14+,15-/m0/s1
InChIKey
YIRAHEODBQONHI-ZQNQSHIBSA-N
Compound name
(1S,2R,6S,7R,8S)-1-methyl-5-methylidene-8-propan-2-yltricyclo[5.3.0.02,6]decane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

16
References

864
Patents

204.1878 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 150.9
[M+Na]+ 227.17702 155.2
[M+NH4]+ 222.22162 158.3
[M+K]+ 243.15096 152.1
[M-H]- 203.18052 149.8
[M+Na-2H]- 225.16247 150.2
[M]+ 204.18725 150.0
[M]- 204.18835 150.0
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