CID 129320446

Tsukubadiene

Structural Information

Molecular Formula
C20H32
SMILES
C[C@H]\1CC[C@@H]2/C1=C\[C@]3(CCC([C@@H]3C/C=C(\C2)/C)(C)C)C
InChI
InChI=1S/C20H32/c1-14-6-9-18-19(3,4)10-11-20(18,5)13-17-15(2)7-8-16(17)12-14/h6,13,15-16,18H,7-12H2,1-5H3/b14-6-,17-13-/t15-,16-,18-,20+/m0/s1
InChIKey
JZGOFJIAHJJJDK-ICZJPRMTSA-N
Compound name
(1Z,3R,7S,9Z,12S,15S)-3,6,6,10,15-pentamethyltricyclo[10.3.0.03,7]pentadeca-1,9-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.2504 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 181.5
[M+Na]+ 295.23962 183.1
[M+NH4]+ 290.28422 183.5
[M+K]+ 311.21356 181.2
[M-H]- 271.24312 182.1
[M+Na-2H]- 293.22507 181.5
[M]+ 272.24985 182.1
[M]- 272.25095 182.1
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.