CID 5365849

Geranyl methyl ether

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CC(=CCC/C(=C/COC)/C)C

InChI

InChI=1S/C11H20O/c1-10(2)6-5-7-11(3)8-9-12-4/h6,8H,5,7,9H2,1-4H3/b11-8+

InChIKey

AVJMJMPVWWWELJ-DHZHZOJOSA-N

Compound name

(2E)-1-methoxy-3,7-dimethylocta-2,6-diene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 895
Patents: 168.15141 Da
Monoisotopic Mass: 3.4
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]+	169.15869	142.6
[M+Na]+	191.14063	148.1
[M-H]-	167.14413	142.4
[M+NH4]+	186.18523	163.4
[M+K]+	207.11457	146.9
[M+H-H2O]+	151.14867	137.8
[M+HCOO]-	213.14961	163.5
[M+CH3COO]-	227.16526	182.9
[M+Na-2H]-	189.12608	144.7
[M]+	168.15086	144.4
[M]-	168.15196	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe