CID 21074604

1-benzoylpyrrolidin-3-amine dihydrochloride

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

C1CN(CC1N)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C11H14N2O/c12-10-6-7-13(8-10)11(14)9-4-2-1-3-5-9/h1-5,10H,6-8,12H2

InChIKey

GOCPFGTXVLZUDQ-UHFFFAOYSA-N

Compound name

(3-aminopyrrolidin-1-yl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 190.11061 Da
Monoisotopic Mass: 0.6
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]+	191.117886	142.2
[M+Na]+	213.099828	148.1
[M-H]-	189.103334	146.9
[M+NH4]+	208.144433	161.4
[M+K]+	229.073768	145.4
[M+H-H2O]+	173.107870	134.8
[M+HCOO]-	235.108811	164.1
[M+CH3COO]-	249.124461	182.9
[M+Na-2H]-	211.085276	144.8
[M]+	190.11006142	137.4
[M]-	190.11115858	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe