CID 10887881

2-[(2-aminoethyl)(methyl)amino]ethan-1-ol

Structural Information

Molecular Formula

C₅H₁₄N₂O

SMILES

CN(CCN)CCO

InChI

InChI=1S/C5H14N2O/c1-7(3-2-6)4-5-8/h8H,2-6H2,1H3

InChIKey

XYJVGUKOTPNESI-UHFFFAOYSA-N

Compound name

2-[2-aminoethyl(methyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 337
Patents: 118.11061 Da
Monoisotopic Mass: -1.4
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]+	119.11789	126.2
[M+Na]+	141.09983	131.8
[M-H]-	117.10333	126.0
[M+NH4]+	136.14443	147.9
[M+K]+	157.07377	132.3
[M+H-H2O]+	101.10787	120.9
[M+HCOO]-	163.10881	150.9
[M+CH3COO]-	177.12446	176.0
[M+Na-2H]-	139.08528	131.7
[M]+	118.11006	125.2
[M]-	118.11116	125.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe