CID 5280678

(6e)-8-hydroxylinalool

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

C/C(=C\CCC(C)(C=C)O)/CO

InChI

InChI=1S/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,11-12H,1,5,7-8H2,2-3H3/b9-6+

InChIKey

NSMIMJYEKVSYMT-RMKNXTFCSA-N

Compound name

(2E)-2,6-dimethylocta-2,7-diene-1,6-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 184
Patents: 170.13068 Da
Monoisotopic Mass: 1.5
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]+	171.137956	141.9
[M+Na]+	193.119898	147.5
[M-H]-	169.123404	139.1
[M+NH4]+	188.164503	161.2
[M+K]+	209.093838	145.0
[M+H-H2O]+	153.127940	138.0
[M+HCOO]-	215.128881	159.7
[M+CH3COO]-	229.144531	176.5
[M+Na-2H]-	191.105346	145.3
[M]+	170.13013142	141.1
[M]-	170.13122858	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe