CID 4961839

3-amino-1-(pyrrolidin-1-yl)propan-1-one hydrochloride

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

C1CCN(C1)C(=O)CCN

InChI

InChI=1S/C7H14N2O/c8-4-3-7(10)9-5-1-2-6-9/h1-6,8H2

InChIKey

SIOMCRORFPUYKB-UHFFFAOYSA-N

Compound name

3-amino-1-pyrrolidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 58
Patents: 142.11061 Da
Monoisotopic Mass: -0.8
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]+	143.117886	132.4
[M+Na]+	165.099828	137.6
[M-H]-	141.103334	133.5
[M+NH4]+	160.144433	153.5
[M+K]+	181.073768	136.9
[M+H-H2O]+	125.107870	125.8
[M+HCOO]-	187.108811	153.9
[M+CH3COO]-	201.124461	174.1
[M+Na-2H]-	163.085276	135.3
[M]+	142.11006142	128.0
[M]-	142.11115858	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe