CID 86583467

12-hydroxyfarnesol

Structural Information

Molecular Formula

C₁₅H₂₆O₂

SMILES

C/C(=C\CC/C(=C/CO)/C)/CC/C=C(\C)/CO

InChI

InChI=1S/C15H26O2/c1-13(7-5-9-15(3)12-17)6-4-8-14(2)10-11-16/h6,9-10,16-17H,4-5,7-8,11-12H2,1-3H3/b13-6+,14-10+,15-9+

InChIKey

FLIKBVTXNBEPQQ-RDUMTQBOSA-N

Compound name

(2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 238.19328 Da
Monoisotopic Mass: 3.5
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	164.6
[M+Na]+	261.182498	167.7
[M-H]-	237.186004	160.8
[M+NH4]+	256.227103	181.0
[M+K]+	277.156438	163.8
[M+H-H2O]+	221.190540	159.4
[M+HCOO]-	283.191481	180.6
[M+CH3COO]-	297.207131	190.8
[M+Na-2H]-	259.167946	162.0
[M]+	238.19273142	164.0
[M]-	238.19382858	164.0

Literature stripe

literature stripe

Patent stripe

patents stripe