CID 5365872

Geranyllinalool

Structural Information

Molecular Formula

C₂₀H₃₄O

SMILES

CC(=CCC/C(=C/CC/C(=C/CCC(C)(C=C)O)/C)/C)C

InChI

InChI=1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3/b18-13+,19-15+

InChIKey

IQDXAJNQKSIPGB-HQSZAHFGSA-N

Compound name

(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 6
References: 827
Patents: 290.26096 Da
Monoisotopic Mass: 6.4
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]+	291.26824	179.6
[M+Na]+	313.25018	182.0
[M-H]-	289.25368	176.8
[M+NH4]+	308.29478	194.8
[M+K]+	329.22412	177.1
[M+H-H2O]+	273.25822	174.4
[M+HCOO]-	335.25916	194.0
[M+CH3COO]-	349.27481	205.8
[M+Na-2H]-	311.23563	176.1
[M]+	290.26041	180.4
[M]-	290.26151	180.4

Literature stripe

literature stripe

Patent stripe

patents stripe