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]+ 273.257676 186.3
[M+Na]+ 295.239618 191.0
[M-H]- 271.243124 188.5
[M+NH4]+ 290.284223 197.1
[M+K]+ 311.213558 189.2
[M+H-H2O]+ 255.247660 182.1
[M+HCOO]- 317.248601 192.2
[M+CH3COO]- 331.264251 189.3
[M+Na-2H]- 293.225066 182.2
[M]+ 272.24985142 184.2
[M]- 272.25094858 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.