CID 169267

31180-77-5

Structural Information

Molecular Formula

C₁₄H₂₄O₂

SMILES

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

InChI

InChI=1S/C14H24O2/c1-7-14(6,11-9-10-12(3)4)16-13(5)15-8-2/h1,10,13H,8-9,11H2,2-6H3

InChIKey

CGENMIVCMHPWGS-UHFFFAOYSA-N

Compound name

3-(1-ethoxyethoxy)-3,7-dimethyloct-6-en-1-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 224.17763 Da
Monoisotopic Mass: 3.5
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]+	225.18491	155.2
[M+Na]+	247.16685	162.2
[M-H]-	223.17035	154.4
[M+NH4]+	242.21145	171.8
[M+K]+	263.14079	160.5
[M+H-H2O]+	207.17489	144.4
[M+HCOO]-	269.17583	168.8
[M+CH3COO]-	283.19148	200.8
[M+Na-2H]-	245.15230	156.2
[M]+	224.17708	153.7
[M]-	224.17818	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe