CID 92445

Bis(2,2-dimethoxyethyl)amine

Structural Information

Molecular Formula

C₈H₁₉NO₄

SMILES

COC(CNCC(OC)OC)OC

InChI

InChI=1S/C8H19NO4/c1-10-7(11-2)5-9-6-8(12-3)13-4/h7-9H,5-6H2,1-4H3

InChIKey

OMMFDGDFQAYQFM-UHFFFAOYSA-N

Compound name

N-(2,2-dimethoxyethyl)-2,2-dimethoxyethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 23
Patents: 193.13141 Da
Monoisotopic Mass: -0.5
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]+	194.138686	144.4
[M+Na]+	216.120628	149.3
[M-H]-	192.124134	144.3
[M+NH4]+	211.165233	163.5
[M+K]+	232.094568	151.4
[M+H-H2O]+	176.128670	138.5
[M+HCOO]-	238.129611	167.5
[M+CH3COO]-	252.145261	187.7
[M+Na-2H]-	214.106076	148.1
[M]+	193.13086142	150.1
[M]-	193.13195858	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe