CID 165368732

Talarodiene

Structural Information

Molecular Formula
C20H32
SMILES
C[C@H]1CC[C@@H]/2[C@H]1C[C@]3(CCC(C=C3C/C=C2/C)(C)C)C
InChI
InChI=1S/C20H32/c1-14-6-8-16-12-19(3,4)10-11-20(16,5)13-18-15(2)7-9-17(14)18/h6,12,15,17-18H,7-11,13H2,1-5H3/b14-6-/t15-,17-,18-,20+/m0/s1
InChIKey
XTOGEKDHHWZDDZ-JAMRKFNNSA-N
Compound name
(1R,3S,4S,7R,8Z)-1,4,8,13,13-pentamethyltricyclo[9.4.0.03,7]pentadeca-8,11-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.2504 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 186.3
[M+Na]+ 295.23962 191.0
[M-H]- 271.24312 188.5
[M+NH4]+ 290.28422 197.1
[M+K]+ 311.21356 189.2
[M+H-H2O]+ 255.24766 182.1
[M+HCOO]- 317.24860 192.2
[M+CH3COO]- 331.26425 189.3
[M+Na-2H]- 293.22507 182.2
[M]+ 272.24985 184.2
[M]- 272.25095 184.2
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

No patent data available for this compound.