CID 71356702

Myrcenyl methyl ether

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CC(C)(CCCC(=C)C=C)OC

InChI

InChI=1S/C11H20O/c1-6-10(2)8-7-9-11(3,4)12-5/h6H,1-2,7-9H2,3-5H3

InChIKey

ZOSWMSOQJPTZHW-UHFFFAOYSA-N

Compound name

7-methoxy-7-methyl-3-methylideneoct-1-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 35
Patents: 168.15141 Da
Monoisotopic Mass: 3.6
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	141.1
[M+Na]+	191.140628	147.2
[M-H]-	167.144134	141.1
[M+NH4]+	186.185233	162.0
[M+K]+	207.114568	145.9
[M+H-H2O]+	151.148670	136.9
[M+HCOO]-	213.149611	161.5
[M+CH3COO]-	227.165261	183.6
[M+Na-2H]-	189.126076	145.2
[M]+	168.15086142	143.3
[M]-	168.15195858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe