CID 55219291

944561-44-8

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

C#CCOCCOCCN

InChI

InChI=1S/C7H13NO2/c1-2-4-9-6-7-10-5-3-8/h1H,3-8H2

InChIKey

GVHLQHHQXWSDDM-UHFFFAOYSA-N

Compound name

2-(2-prop-2-ynoxyethoxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 143.09464 Da
Monoisotopic Mass: -0.9
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]+	144.10192	130.4
[M+Na]+	166.08386	139.5
[M+NH4]+	161.12846	134.2
[M+K]+	182.05780	131.3
[M-H]-	142.08736	122.2
[M+Na-2H]-	164.06931	131.1
[M]+	143.09409	128.3
[M]-	143.09519	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe