CID 11105756

72008-25-4

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

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

InChI

InChI=1S/C10H16O2/c1-6-10(5,7-2)12-9(4)11-8-3/h1,7,9H,2,8H2,3-5H3

InChIKey

NSVFPEGYFRAXRT-UHFFFAOYSA-N

Compound name

3-(1-ethoxyethoxy)-3-methylpent-1-en-4-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 168.11504 Da
Monoisotopic Mass: 2.0
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]+	169.12232	138.3
[M+Na]+	191.10426	146.9
[M-H]-	167.10776	138.0
[M+NH4]+	186.14886	156.9
[M+K]+	207.07820	145.7
[M+H-H2O]+	151.11230	128.0
[M+HCOO]-	213.11324	153.8
[M+CH3COO]-	227.12889	189.9
[M+Na-2H]-	189.08971	142.3
[M]+	168.11449	136.1
[M]-	168.11559	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe