CID 14087

Methyl 3-(1-aziridinyl)propionate

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

COC(=O)CCN1CC1

InChI

InChI=1S/C6H11NO2/c1-9-6(8)2-3-7-4-5-7/h2-5H2,1H3

InChIKey

IKMSGGHCWBSOOO-UHFFFAOYSA-N

Compound name

methyl 3-(aziridin-1-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 129.07898 Da
Monoisotopic Mass: -0.1
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]+	130.086256	131.0
[M+Na]+	152.068198	140.3
[M-H]-	128.071704	134.3
[M+NH4]+	147.112803	147.0
[M+K]+	168.042138	139.1
[M+H-H2O]+	112.076240	124.4
[M+HCOO]-	174.077181	153.6
[M+CH3COO]-	188.092831	175.2
[M+Na-2H]-	150.053646	137.0
[M]+	129.07843142	135.3
[M]-	129.07952858	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe