CID 5280678

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

2
Annotation Hits: 0
References: 182
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]+	171.13796	141.7
[M+Na]+	193.11990	149.9
[M+NH4]+	188.16450	147.7
[M+K]+	209.09384	145.5
[M-H]-	169.12340	138.8
[M+Na-2H]-	191.10535	143.0
[M]+	170.13013	141.7
[M]-	170.13123	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe