CID 6433547

Ethyl linalool

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

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

InChI

InChI=1S/C11H20O/c1-5-10(3)8-7-9-11(4,12)6-2/h6,8,12H,2,5,7,9H2,1,3-4H3/b10-8+

InChIKey

KRLBLPBPZSSIGH-CSKARUKUSA-N

Compound name

(6E)-3,7-dimethylnona-1,6-dien-3-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 5523
Patents: 168.15141 Da
Monoisotopic Mass: 3.2
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]+	169.158686	142.3
[M+Na]+	191.140628	148.1
[M-H]-	167.144134	140.9
[M+NH4]+	186.185233	162.5
[M+K]+	207.114568	145.7
[M+H-H2O]+	151.148670	138.3
[M+HCOO]-	213.149611	161.2
[M+CH3COO]-	227.165261	180.2
[M+Na-2H]-	189.126076	145.8
[M]+	168.15086142	142.5
[M]-	168.15195858	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe