CID 47154

N,n-bis(2-hydroxyethyl)aziridinium chloride

Structural Information

Molecular Formula

C₆H₁₄NO₂

SMILES

C1C[N+]1(CCO)CCO

InChI

InChI=1S/C6H14NO2/c8-5-3-7(1-2-7)4-6-9/h8-9H,1-6H2/q+1

InChIKey

SAACDHXRGOZTNU-UHFFFAOYSA-N

Compound name

2-[1-(2-hydroxyethyl)aziridin-1-ium-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 132.10245 Da
Monoisotopic Mass: -1.3
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]+	133.10973	122.1
[M+Na]+	155.09167	131.2
[M-H]-	131.09517	123.3
[M+NH4]+	150.13627	138.7
[M+K]+	171.06561	124.1
[M+H-H2O]+	115.09971	120.2
[M+HCOO]-	177.10065	142.1
[M+CH3COO]-	191.11630	164.0
[M+Na-2H]-	153.07712	132.6
[M]+	132.10190	122.8
[M]-	132.10300	122.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe