CID 12212447

54384-47-3

Structural Information

Molecular Formula

C₈H₁₉NO₄

SMILES

C(COCCO)NCCOCCO

InChI

InChI=1S/C8H19NO4/c10-3-7-12-5-1-9-2-6-13-8-4-11/h9-11H,1-8H2

InChIKey

HPYJVTFKENYYFK-UHFFFAOYSA-N

Compound name

2-[2-[2-(2-hydroxyethoxy)ethylamino]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 193.13141 Da
Monoisotopic Mass: -1.9
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]+	194.13869	143.3
[M+Na]+	216.12063	147.7
[M-H]-	192.12413	140.1
[M+NH4]+	211.16523	161.0
[M+K]+	232.09457	146.9
[M+H-H2O]+	176.12867	137.5
[M+HCOO]-	238.12961	165.3
[M+CH3COO]-	252.14526	180.9
[M+Na-2H]-	214.10608	148.6
[M]+	193.13086	146.5
[M]-	193.13196	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe