CID 11966109

Ent-kaurene

Structural Information

Molecular Formula
C20H32
SMILES
C[C@@]12CCCC([C@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)C4)(C)C
InChI
InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h15-17H,1,5-13H2,2-4H3/t15-,16-,17+,19-,20-/m1/s1
InChIKey
ONVABDHFQKWOSV-HPUSYDDDSA-N
Compound name
(1S,4R,9R,10R,13R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2072
References

2639
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 170.9
[M+Na]+ 295.23962 175.7
[M-H]- 271.24312 174.2
[M+NH4]+ 290.28422 197.8
[M+K]+ 311.21356 169.3
[M+H-H2O]+ 255.24766 163.8
[M+HCOO]- 317.24860 180.0
[M+CH3COO]- 331.26425 180.2
[M+Na-2H]- 293.22507 171.8
[M]+ 272.24985 162.7
[M]- 272.25095 162.7
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