CID 42608224

(-)-16-atisene

Structural Information

Molecular Formula
C20H32
SMILES
C[C@@]12CCCC([C@H]1CC[C@]34[C@H]2CC(CC3)C(=C)C4)(C)C
InChI
InChI=1S/C20H32/c1-14-13-20-10-6-15(14)12-17(20)19(4)9-5-8-18(2,3)16(19)7-11-20/h15-17H,1,5-13H2,2-4H3/t15?,16-,17+,19-,20-/m1/s1
InChIKey
LFRRHLVVLXYROS-RXWAUAPXSA-N
Compound name
(1R,4R,9R,10R)-5,5,9-trimethyl-13-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

272.2504 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.257676 168.3
[M+Na]+ 295.239618 170.9
[M-H]- 271.243124 166.7
[M+NH4]+ 290.284223 195.0
[M+K]+ 311.213558 164.5
[M+H-H2O]+ 255.247660 158.5
[M+HCOO]- 317.248601 170.6
[M+CH3COO]- 331.264251 175.5
[M+Na-2H]- 293.225066 173.8
[M]+ 272.24985142 161.9
[M]- 272.25094858 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.