CID 91958

55952-31-3

Structural Information

Molecular Formula

C₈H₂₀N₂O₂

SMILES

CNCCOCCOCCNC

InChI

InChI=1S/C8H20N2O2/c1-9-3-5-11-7-8-12-6-4-10-2/h9-10H,3-8H2,1-2H3

InChIKey

MRULVAADQTWBTF-UHFFFAOYSA-N

Compound name

N-methyl-2-[2-[2-(methylamino)ethoxy]ethoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 178
Patents: 176.15248 Da
Monoisotopic Mass: -0.9
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]+	177.15976	140.8
[M+Na]+	199.14170	145.3
[M-H]-	175.14520	140.5
[M+NH4]+	194.18630	160.5
[M+K]+	215.11564	145.4
[M+H-H2O]+	159.14974	134.6
[M+HCOO]-	221.15068	166.4
[M+CH3COO]-	235.16633	187.0
[M+Na-2H]-	197.12715	147.3
[M]+	176.15193	144.1
[M]-	176.15303	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe