CID 112419

1,2-di(hydroxymethylamino)ethane

Structural Information

Molecular Formula

C₄H₁₂N₂O₂

SMILES

C(CNCO)NCO

InChI

InChI=1S/C4H12N2O2/c7-3-5-1-2-6-4-8/h5-8H,1-4H2

InChIKey

HUKGOLYOCFANQI-UHFFFAOYSA-N

Compound name

[2-(hydroxymethylamino)ethylamino]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 120.089874 Da
Monoisotopic Mass: -1.8
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]+	121.09715	123.2
[M+Na]+	143.07909	130.4
[M+NH4]+	138.12370	129.9
[M+K]+	159.05303	126.5
[M-H]-	119.08260	122.1
[M+Na-2H]-	141.06454	126.0
[M]+	120.08933	123.3
[M]-	120.09042	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe