CID 57871953

932741-19-0

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

C#CCOCCOCCOCCN

InChI

InChI=1S/C9H17NO3/c1-2-4-11-6-8-13-9-7-12-5-3-10/h1H,3-10H2

InChIKey

MREICTHRFCQNJR-UHFFFAOYSA-N

Compound name

2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 154
Patents: 187.12085 Da
Monoisotopic Mass: -1.0
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]+	188.12813	137.3
[M+Na]+	210.11007	144.8
[M-H]-	186.11357	136.0
[M+NH4]+	205.15467	154.5
[M+K]+	226.08401	143.9
[M+H-H2O]+	170.11811	125.7
[M+HCOO]-	232.11905	155.8
[M+CH3COO]-	246.13470	192.5
[M+Na-2H]-	208.09552	141.8
[M]+	187.12030	136.0
[M]-	187.12140	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe