CID 519361

Beta-selinene

Structural Information

Molecular Formula
C15H24
SMILES
CC(=C)C1CCC2(CCCC(=C)C2C1)C
InChI
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3
InChIKey
YOVSPTNQHMDJAG-UHFFFAOYSA-N
Compound name
8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

51
References

1895
Patents

204.1878 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 152.4
[M+Na]+ 227.17702 163.2
[M+NH4]+ 222.22162 163.6
[M+K]+ 243.15096 153.4
[M-H]- 203.18052 155.4
[M+Na-2H]- 225.16247 157.1
[M]+ 204.18725 154.8
[M]- 204.18835 154.8
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