CID 3020444

N-ethyl-2,2-dimethoxyethanamine

Structural Information

Molecular Formula

C₆H₁₅NO₂

SMILES

CCNCC(OC)OC

InChI

InChI=1S/C6H15NO2/c1-4-7-5-6(8-2)9-3/h6-7H,4-5H2,1-3H3

InChIKey

BNTDCSJFYZPOMC-UHFFFAOYSA-N

Compound name

N-ethyl-2,2-dimethoxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 133.11028 Da
Monoisotopic Mass: 0.0
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]+	134.11756	129.5
[M+Na]+	156.09950	135.5
[M-H]-	132.10300	129.7
[M+NH4]+	151.14410	151.2
[M+K]+	172.07344	136.7
[M+H-H2O]+	116.10754	124.4
[M+HCOO]-	178.10848	153.8
[M+CH3COO]-	192.12413	176.8
[M+Na-2H]-	154.08495	135.4
[M]+	133.10973	132.2
[M]-	133.11083	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe