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]+ 291.26824 171.4
[M+Na]+ 313.25018 176.7
[M-H]- 289.25368 172.4
[M+NH4]+ 308.29478 186.3
[M+K]+ 329.22412 173.7
[M+H-H2O]+ 273.25822 169.6
[M+HCOO]- 335.25916 187.1
[M+CH3COO]- 349.27481 196.8
[M+Na-2H]- 311.23563 170.0
[M]+ 290.26041 164.8
[M]- 290.26151 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.