CID 86575725

(2z,6z,10e,14e)-3,6,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol

Structural Information

Molecular Formula
C25H42O
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C=C(/C)\CC/C(=C\CO)/C)/C)/C)C
InChI
InChI=1S/C25H42O/c1-21(2)11-9-14-23(4)16-10-15-22(3)12-7-8-13-24(5)17-18-25(6)19-20-26/h11-13,16,19,26H,7-10,14-15,17-18,20H2,1-6H3/b22-12+,23-16+,24-13-,25-19-
InChIKey
XLSLCWAPASTAKK-XDEDHJFGSA-N
Compound name
(2Z,6Z,10E,14E)-3,6,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.32358 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.33086 202.2
[M+Na]+ 381.31280 202.1
[M-H]- 357.31630 198.3
[M+NH4]+ 376.35740 214.4
[M+K]+ 397.28674 195.8
[M+H-H2O]+ 341.32084 195.8
[M+HCOO]- 403.32178 214.7
[M+CH3COO]- 417.33743 219.9
[M+Na-2H]- 379.29825 192.7
[M]+ 358.32303 203.1
[M]- 358.32413 203.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.