CID 11286438

Lithium l-aziridine-2-carboxylate

Structural Information

Molecular Formula

SMILES

C1[C@H](N1)C(=O)O

InChI

InChI=1S/C3H5NO2/c5-3(6)2-1-4-2/h2,4H,1H2,(H,5,6)/t2-/m0/s1

InChIKey

WBGBOXYJYPVLQJ-REOHCLBHSA-N

Compound name

(2S)-aziridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 73
Patents: 87.03203 Da
Monoisotopic Mass: -3.1
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]+	88.039306	116.6
[M+Na]+	110.02125	126.3
[M-H]-	86.024754	117.7
[M+NH4]+	105.06585	132.7
[M+K]+	125.99519	123.9
[M+H-H2O]+	70.029290	111.1
[M+HCOO]-	132.03023	137.2
[M+CH3COO]-	146.04588	162.0
[M+Na-2H]-	108.00670	123.3
[M]+	87.031481	116.3
[M]-	87.032579	116.3

Literature stripe

literature stripe

Patent stripe

patents stripe