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]+ 273.257676 194.2
[M+Na]+ 295.239618 195.5
[M-H]- 271.243124 194.0
[M+NH4]+ 290.284223 194.2
[M+K]+ 311.213558 193.9
[M+H-H2O]+ 255.247660 185.9
[M+HCOO]- 317.248601 194.9
[M+CH3COO]- 331.264251 195.5
[M+Na-2H]- 293.225066 196.4
[M]+ 272.24985142 194.4
[M]- 272.25094858 194.4
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.