CID 4961839

670253-59-5

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: 62
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]+	143.11789	132.4
[M+Na]+	165.09983	140.2
[M+NH4]+	160.14443	139.9
[M+K]+	181.07377	137.3
[M-H]-	141.10333	132.7
[M+Na-2H]-	163.08528	135.6
[M]+	142.11006	133.0
[M]-	142.11116	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe