CID 445070

Farnesol

Structural Information

Molecular Formula

C₁₅H₂₆O

SMILES

CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C

InChI

InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+

InChIKey

CRDAMVZIKSXKFV-YFVJMOTDSA-N

Compound name

(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol

Related CIDs

2D Structure

compound 2d structure

11
Annotation Hits: 1570
References: 42568
Patents: 222.19836 Da
Monoisotopic Mass: 4.8
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]+	223.205636	160.6
[M+Na]+	245.187578	164.2
[M-H]-	221.191084	158.3
[M+NH4]+	240.232183	178.4
[M+K]+	261.161518	160.7
[M+H-H2O]+	205.195620	155.4
[M+HCOO]-	267.196561	177.8
[M+CH3COO]-	281.212211	191.5
[M+Na-2H]-	243.173026	158.6
[M]+	222.19781142	160.5
[M]-	222.19890858	160.5

Literature stripe

literature stripe

Patent stripe

patents stripe