CID 86289955

Chebi:82801

Structural Information

Molecular Formula
C20H34O
SMILES
C/C/1=C\CC/C(=C/CC([C@H](CC/C(=C/CC1)/C)O)(C)C)/C
InChI
InChI=1S/C20H34O/c1-16-8-6-10-17(2)12-13-19(21)20(4,5)15-14-18(3)11-7-9-16/h9-10,14,19,21H,6-8,11-13,15H2,1-5H3/b16-9+,17-10+,18-14+/t19-/m0/s1
InChIKey
BAHYVRQOLFYWAA-CRVSJLGISA-N
Compound name
(1S,4E,8E,12E)-2,2,5,9,13-pentamethylcyclopentadeca-4,8,12-trien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.26096 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.268236 171.4
[M+Na]+ 313.250178 176.7
[M-H]- 289.253684 172.4
[M+NH4]+ 308.294783 186.3
[M+K]+ 329.224118 173.7
[M+H-H2O]+ 273.258220 169.6
[M+HCOO]- 335.259161 187.1
[M+CH3COO]- 349.274811 196.8
[M+Na-2H]- 311.235626 170.0
[M]+ 290.26041142 164.8
[M]- 290.26150858 164.8
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.