CID 175211

Ethyl linalyl ether

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

CCOC(C)(CCC=C(C)C)C=C

InChI

InChI=1S/C12H22O/c1-6-12(5,13-7-2)10-8-9-11(3)4/h6,9H,1,7-8,10H2,2-5H3

InChIKey

GSFBRCUXDDCNKV-UHFFFAOYSA-N

Compound name

3-ethoxy-3,7-dimethylocta-1,6-diene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1599
Patents: 182.16707 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]+	183.17435	146.7
[M+Na]+	205.15629	156.1
[M+NH4]+	200.20089	153.8
[M+K]+	221.13023	150.1
[M-H]-	181.15979	145.4
[M+Na-2H]-	203.14174	149.2
[M]+	182.16652	147.5
[M]-	182.16762	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe