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 210.1
[M+Na]+ 405.37029 208.4
[M-H]- 381.37379 204.8
[M+NH4]+ 400.41489 208.0
[M+K]+ 421.34423 204.9
[M+H-H2O]+ 365.37833 204.0
[M+HCOO]- 427.37927 205.7
[M+CH3COO]- 441.39492 225.5
[M+Na-2H]- 403.35574 200.9
[M]+ 382.38052 213.2
[M]- 382.38162 213.2
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.