CID 12639

671-51-2

Structural Information

Molecular Formula

SMILES

CCOC(=O)N1CC1

InChI

InChI=1S/C5H9NO2/c1-2-8-5(7)6-3-4-6/h2-4H2,1H3

InChIKey

MGPDSKXOTDLPJE-UHFFFAOYSA-N

Compound name

ethyl aziridine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 115.06333 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]+	116.070606	126.9
[M+Na]+	138.052548	136.7
[M-H]-	114.056054	130.5
[M+NH4]+	133.097153	143.5
[M+K]+	154.026488	135.8
[M+H-H2O]+	98.060590	120.5
[M+HCOO]-	160.061531	149.8
[M+CH3COO]-	174.077181	171.6
[M+Na-2H]-	136.037996	133.4
[M]+	115.06278142	130.8
[M]-	115.06387858	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe