CID 137721

2806-97-5

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CCOC(C#CC)OCC

InChI

InChI=1S/C8H14O2/c1-4-7-8(9-5-2)10-6-3/h8H,5-6H2,1-3H3

InChIKey

FKKVKKSEVMQYER-UHFFFAOYSA-N

Compound name

1,1-diethoxybut-2-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 142.09938 Da
Monoisotopic Mass: 1.4
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]+	143.10666	129.0
[M+Na]+	165.08860	139.1
[M+NH4]+	160.13320	133.2
[M+K]+	181.06254	130.9
[M-H]-	141.09210	120.6
[M+Na-2H]-	163.07405	130.1
[M]+	142.09883	127.1
[M]-	142.09993	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe