CID 142440

40365-61-5

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C#CCCOC1CCCCO1

InChI

InChI=1S/C9H14O2/c1-2-3-7-10-9-6-4-5-8-11-9/h1,9H,3-8H2

InChIKey

ZQZSNKJFOFAJQX-UHFFFAOYSA-N

Compound name

2-but-3-ynoxyoxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 482
Patents: 154.09938 Da
Monoisotopic Mass: 1.5
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]+	155.10666	135.1
[M+Na]+	177.08860	145.7
[M+NH4]+	172.13320	140.1
[M+K]+	193.06254	136.8
[M-H]-	153.09210	129.9
[M+Na-2H]-	175.07405	136.9
[M]+	154.09883	134.2
[M]-	154.09993	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe