CID 45414

Ethylcholine aziridinium

Structural Information

Molecular Formula

SMILES

CC[N+]1(CC1)CCO

InChI

InChI=1S/C6H14NO/c1-2-7(3-4-7)5-6-8/h8H,2-6H2,1H3/q+1

InChIKey

LZDYZEGISBDSDP-UHFFFAOYSA-N

Compound name

2-(1-ethylaziridin-1-ium-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 292
References: 5550
Patents: 116.10754 Da
Monoisotopic Mass: -0.3
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]+	117.11482	119.0
[M+Na]+	139.09676	128.5
[M-H]-	115.10026	121.6
[M+NH4]+	134.14136	136.9
[M+K]+	155.07070	122.2
[M+H-H2O]+	99.104800	117.0
[M+HCOO]-	161.10574	140.3
[M+CH3COO]-	175.12139	164.8
[M+Na-2H]-	137.08221	129.9
[M]+	116.10699	120.0
[M]-	116.10809	120.0

Literature stripe

literature stripe

Patent stripe

patents stripe