CID 163400

84029-93-6

Structural Information

Molecular Formula

C₁₄H₂₈O₂

SMILES

CCOC(C)OC(C)(CCCC(C)C)C=C

InChI

InChI=1S/C14H28O2/c1-7-14(6,11-9-10-12(3)4)16-13(5)15-8-2/h7,12-13H,1,8-11H2,2-6H3

InChIKey

IJOLRHXMJRNZNP-UHFFFAOYSA-N

Compound name

3-(1-ethoxyethoxy)-3,7-dimethyloct-1-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1
Patents: 228.20892 Da
Monoisotopic Mass: 4.3
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]+	229.216196	160.0
[M+Na]+	251.198138	164.3
[M-H]-	227.201644	159.4
[M+NH4]+	246.242743	178.4
[M+K]+	267.172078	163.7
[M+H-H2O]+	211.206180	154.9
[M+HCOO]-	273.207121	178.4
[M+CH3COO]-	287.222771	196.4
[M+Na-2H]-	249.183586	161.2
[M]+	228.20837142	164.8
[M]-	228.20946858	164.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe