CID 9920411

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

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

CC(C(=O)N1CCCC1)N

InChI

InChI=1S/C7H14N2O/c1-6(8)7(10)9-4-2-3-5-9/h6H,2-5,8H2,1H3

InChIKey

IVBVTDXOGUNDHC-UHFFFAOYSA-N

Compound name

2-amino-1-pyrrolidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 511
Patents: 142.11061 Da
Monoisotopic Mass: -0.3
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	133.0
[M+Na]+	165.099828	138.0
[M-H]-	141.103334	134.2
[M+NH4]+	160.144433	154.1
[M+K]+	181.073768	137.7
[M+H-H2O]+	125.107870	126.6
[M+HCOO]-	187.108811	153.5
[M+CH3COO]-	201.124461	175.0
[M+Na-2H]-	163.085276	134.7
[M]+	142.11006142	128.0
[M]-	142.11115858	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe