CID 12627773

2-(2,2-diethoxyethoxy)ethanamine

Structural Information

Molecular Formula

C₈H₁₉NO₃

SMILES

CCOC(COCCN)OCC

InChI

InChI=1S/C8H19NO3/c1-3-11-8(12-4-2)7-10-6-5-9/h8H,3-7,9H2,1-2H3

InChIKey

LVSLKUDPYPWWCZ-UHFFFAOYSA-N

Compound name

2-(2,2-diethoxyethoxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 177.13649 Da
Monoisotopic Mass: -0.3
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]+	178.14377	140.2
[M+Na]+	200.12571	148.0
[M+NH4]+	195.17031	146.7
[M+K]+	216.09965	143.6
[M-H]-	176.12921	139.0
[M+Na-2H]-	198.11116	142.2
[M]+	177.13594	140.5
[M]-	177.13704	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe