CID 11051761

4,4-diethoxybut-1-yne

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CCOC(CC#C)OCC

InChI

InChI=1S/C8H14O2/c1-4-7-8(9-5-2)10-6-3/h1,8H,5-7H2,2-3H3

InChIKey

YIUIBFPHUMLIBP-UHFFFAOYSA-N

Compound name

4,4-diethoxybut-1-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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	128.9
[M+Na]+	165.08860	138.9
[M+NH4]+	160.13320	133.1
[M+K]+	181.06254	130.8
[M-H]-	141.09210	120.5
[M+Na-2H]-	163.07405	129.9
[M]+	142.09883	126.9
[M]-	142.09993	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe