CID 10643653

Lepidiumsesterterpenol

Structural Information

Molecular Formula
C25H50O2
SMILES
CCC(C)C/C=C/C(C)C(CCC(C)CCCC(C)CCCC(C)(C)O)O
InChI
InChI=1S/C25H50O2/c1-8-20(2)12-10-16-23(5)24(26)18-17-22(4)14-9-13-21(3)15-11-19-25(6,7)27/h10,16,20-24,26-27H,8-9,11-15,17-19H2,1-7H3/b16-10+
InChIKey
LVOIAUYYMRCVLX-MHWRWJLKSA-N
Compound name
(E)-2,6,10,14,18-pentamethylicos-15-ene-2,13-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

382.38107 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.38835 206.9
[M+Na]+ 405.37029 210.6
[M+NH4]+ 400.41489 211.8
[M+K]+ 421.34423 206.2
[M-H]- 381.37379 202.7
[M+Na-2H]- 403.35574 203.1
[M]+ 382.38052 205.8
[M]- 382.38162 205.8
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.