CID 139591546

Bonnadiene

Structural Information

Molecular Formula
C21H34
SMILES
CC1=C[C@H]2[C@H](CCC(=C3[C@]2(CC1)C(CC3)(C)C)C)C(C)C
InChI
InChI=1S/C21H34/c1-14(2)17-8-7-16(4)18-10-11-20(5,6)21(18)12-9-15(3)13-19(17)21/h13-14,17,19H,7-12H2,1-6H3/t17-,19+,21+/m1/s1
InChIKey
ODFAUAJALPIDBF-LMNJBCLMSA-N
Compound name
(1S,9R,10R)-2,2,6,12-tetramethyl-9-propan-2-yltricyclo[8.4.0.01,5]tetradeca-5,11-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.26605 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.273326 170.7
[M+Na]+ 309.255268 175.5
[M-H]- 285.258774 177.1
[M+NH4]+ 304.299873 193.1
[M+K]+ 325.229208 172.8
[M+H-H2O]+ 269.263310 166.1
[M+HCOO]- 331.264251 184.6
[M+CH3COO]- 345.279901 208.5
[M+Na-2H]- 307.240716 169.5
[M]+ 286.26550142 165.4
[M]- 286.26659858 165.4
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.