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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	383.388346	210.1
[M+Na]+	405.370288	208.4
[M-H]-	381.373794	204.8
[M+NH4]+	400.414893	208.0
[M+K]+	421.344228	204.9
[M+H-H2O]+	365.378330	204.0
[M+HCOO]-	427.379271	205.7
[M+CH3COO]-	441.394921	225.5
[M+Na-2H]-	403.355736	200.9
[M]+	382.38052142	213.2
[M]-	382.38161858	213.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.