CID 12302131

Beta-bulnesene

Structural Information

Molecular Formula
C15H24
SMILES
CC1CCC2=C(CCC(=C(C)C)CC12)C
InChI
InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h12,15H,5-9H2,1-4H3
InChIKey
XUTBNOJXXIWRCB-UHFFFAOYSA-N
Compound name
3,8-dimethyl-5-propan-2-ylidene-2,3,3a,4,6,7-hexahydro-1H-azulene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

204.1878 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 147.6
[M+Na]+ 227.17702 156.3
[M+NH4]+ 222.22162 156.3
[M+K]+ 243.15096 152.6
[M-H]- 203.18052 149.8
[M+Na-2H]- 225.16247 150.7
[M]+ 204.18725 149.4
[M]- 204.18835 149.4
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