CID 156587267

Chebi:177888

Structural Information

Molecular Formula
C20H32
SMILES
C/C/1=C\CC/C(=C\2/C[C@]3(CCC(C3C2CC1)(C)C)C)/C
InChI
InChI=1S/C20H32/c1-14-7-6-8-15(2)17-13-20(5)12-11-19(3,4)18(20)16(17)10-9-14/h7,16,18H,6,8-13H2,1-5H3/b14-7+,17-15-/t16?,18?,20-/m1/s1
InChIKey
IYERWQNZLUNKRO-GAFFSUPESA-N
Compound name
(1Z,5E,14R)-2,6,11,11,14-pentamethyltricyclo[7.6.0.010,14]pentadeca-1,5-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.2504 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 194.2
[M+Na]+ 295.23962 195.5
[M-H]- 271.24312 194.0
[M+NH4]+ 290.28422 194.2
[M+K]+ 311.21356 193.9
[M+H-H2O]+ 255.24766 185.9
[M+HCOO]- 317.24860 194.9
[M+CH3COO]- 331.26425 195.5
[M+Na-2H]- 293.22507 196.4
[M]+ 272.24985 194.4
[M]- 272.25095 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.