CID 107096

68083-50-1

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CCC(C(=O)OC)N1CC1

InChI

InChI=1S/C7H13NO2/c1-3-6(7(9)10-2)8-4-5-8/h6H,3-5H2,1-2H3

InChIKey

SBVKABQEJSQEOZ-UHFFFAOYSA-N

Compound name

methyl 2-(aziridin-1-yl)butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 143.09464 Da
Monoisotopic Mass: 0.9
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	134.6
[M+Na]+	166.08386	143.4
[M-H]-	142.08736	137.9
[M+NH4]+	161.12846	150.1
[M+K]+	182.05780	142.3
[M+H-H2O]+	126.09190	128.0
[M+HCOO]-	188.09284	156.0
[M+CH3COO]-	202.10849	178.9
[M+Na-2H]-	164.06931	139.1
[M]+	143.09409	138.7
[M]-	143.09519	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe