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

5
Patents

272.2504 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 168.3
[M+Na]+ 295.23962 170.9
[M-H]- 271.24312 166.7
[M+NH4]+ 290.28422 195.0
[M+K]+ 311.21356 164.5
[M+H-H2O]+ 255.24766 158.5
[M+HCOO]- 317.24860 170.6
[M+CH3COO]- 331.26425 175.5
[M+Na-2H]- 293.22507 173.8
[M]+ 272.24985 161.9
[M]- 272.25095 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.