CID 12627773

76534-71-9

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: 15
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	141.7
[M+Na]+	200.12571	146.9
[M-H]-	176.12921	141.0
[M+NH4]+	195.17031	161.3
[M+K]+	216.09965	147.6
[M+H-H2O]+	160.13375	135.9
[M+HCOO]-	222.13469	164.9
[M+CH3COO]-	236.15034	184.2
[M+Na-2H]-	198.11116	145.5
[M]+	177.13594	145.6
[M]-	177.13704	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe