CID 558202

1-pentyne, 3-ethoxy-3-ethyl-

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CCC(CC)(C#C)OCC

InChI

InChI=1S/C9H16O/c1-5-9(6-2,7-3)10-8-4/h1H,6-8H2,2-4H3

InChIKey

UJUPEHRSFQFPLK-UHFFFAOYSA-N

Compound name

3-ethoxy-3-ethylpent-1-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 140.12012 Da
Monoisotopic Mass: 2.2
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]+	141.12740	130.4
[M+Na]+	163.10934	140.8
[M+NH4]+	158.15394	135.0
[M+K]+	179.08328	132.4
[M-H]-	139.11284	122.1
[M+Na-2H]-	161.09479	131.9
[M]+	140.11957	128.7
[M]-	140.12067	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe