CID 101648403

(2e,6e,9xi)-farnesol

Structural Information

Molecular Formula

C₁₅H₂₆O₂

SMILES

CC(=CC(C/C(=C/CC/C(=C/CO)/C)/C)O)C

InChI

InChI=1S/C15H26O2/c1-12(2)10-15(17)11-14(4)7-5-6-13(3)8-9-16/h7-8,10,15-17H,5-6,9,11H2,1-4H3/b13-8+,14-7+

InChIKey

RAFAKSIGGWRDFJ-CCLLZULESA-N

Compound name

(2E,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,9-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 238.19328 Da
Monoisotopic Mass: 3.6
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]+	239.200556	164.5
[M+Na]+	261.182498	167.4
[M-H]-	237.186004	160.8
[M+NH4]+	256.227103	180.8
[M+K]+	277.156438	164.1
[M+H-H2O]+	221.190540	159.4
[M+HCOO]-	283.191481	179.5
[M+CH3COO]-	297.207131	191.7
[M+Na-2H]-	259.167946	160.7
[M]+	238.19273142	163.3
[M]-	238.19382858	163.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.