CID 12311059

Ent-isokaurene

Structural Information

Molecular Formula
C20H32
SMILES
CC1=C[C@@]23CC[C@H]4[C@]([C@@H]2CC[C@@H]1C3)(CCCC4(C)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/h12,15-17H,5-11,13H2,1-4H3/t15-,16-,17+,19-,20-/m1/s1
InChIKey
DQUHDYWUEKWRLN-HPUSYDDDSA-N
Compound name
(1S,4R,9R,10S,13R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

50
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 171.5
[M+Na]+ 295.23962 181.8
[M+NH4]+ 290.28422 187.3
[M+K]+ 311.21356 168.8
[M-H]- 271.24312 175.3
[M+Na-2H]- 293.22507 176.3
[M]+ 272.24985 174.6
[M]- 272.25095 174.6
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