CID 10243212

Homofarnesol

Structural Information

Molecular Formula

C₁₆H₂₈O

SMILES

CC(=CCC/C(=C/CC/C(=C/CCO)/C)/C)C

InChI

InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17/h8,10,12,17H,5-7,9,11,13H2,1-4H3/b15-10+,16-12+

InChIKey

KOICZDDAVPYKKX-NCZFFCEISA-N

Compound name

(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 166
Patents: 236.21402 Da
Monoisotopic Mass: 5.2
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]+	237.221296	165.2
[M+Na]+	259.203238	168.4
[M-H]-	235.206744	162.7
[M+NH4]+	254.247843	182.5
[M+K]+	275.177178	164.7
[M+H-H2O]+	219.211280	159.8
[M+HCOO]-	281.212221	182.1
[M+CH3COO]-	295.227871	194.5
[M+Na-2H]-	257.188686	162.7
[M]+	236.21347142	165.5
[M]-	236.21456858	165.5

Literature stripe

literature stripe

Patent stripe

patents stripe