CID 20009

1-aziridinepropanoic acid, ethyl ester

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CCOC(=O)CCN1CC1

InChI

InChI=1S/C7H13NO2/c1-2-10-7(9)3-4-8-5-6-8/h2-6H2,1H3

InChIKey

OUHQWZTZDABZTB-UHFFFAOYSA-N

Compound name

ethyl 3-(aziridin-1-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 143.09464 Da
Monoisotopic Mass: 0.2
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]+	144.101916	135.2
[M+Na]+	166.083858	144.2
[M-H]-	142.087364	138.4
[M+NH4]+	161.128463	150.7
[M+K]+	182.057798	142.7
[M+H-H2O]+	126.091900	128.5
[M+HCOO]-	188.092841	157.5
[M+CH3COO]-	202.108491	178.0
[M+Na-2H]-	164.069306	140.8
[M]+	143.09409142	139.9
[M]-	143.09518858	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe