CID 162027

40910-49-4

Structural Information

Molecular Formula

C₁₄H₂₆O₂

SMILES

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

InChI

InChI=1S/C14H26O2/c1-7-14(6,11-9-10-12(3)4)16-13(5)15-8-2/h7,10,13H,1,8-9,11H2,2-6H3

InChIKey

ZJPKYCLAROITRY-UHFFFAOYSA-N

Compound name

3-(1-ethoxyethoxy)-3,7-dimethylocta-1,6-diene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 663
Patents: 226.19328 Da
Monoisotopic Mass: 4.0
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]+	227.200556	158.3
[M+Na]+	249.182498	163.0
[M-H]-	225.186004	157.8
[M+NH4]+	244.227103	176.8
[M+K]+	265.156438	161.8
[M+H-H2O]+	209.190540	153.4
[M+HCOO]-	271.191481	177.0
[M+CH3COO]-	285.207131	194.8
[M+Na-2H]-	247.167946	159.6
[M]+	226.19273142	162.4
[M]-	226.19382858	162.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe