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: 53
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]+	144.10192	131.8
[M+Na]+	166.08386	143.3
[M+NH4]+	161.12846	139.7
[M+K]+	182.05780	139.7
[M-H]-	142.08736	138.4
[M+Na-2H]-	164.06931	138.6
[M]+	143.09409	136.1
[M]-	143.09519	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe