CID 59657947

1-(pyridin-4-yl)pyrrolidin-3-amine dihydrochloride

Structural Information

Molecular Formula

C₉H₁₃N₃

SMILES

C1CN(CC1N)C2=CC=NC=C2

InChI

InChI=1S/C9H13N3/c10-8-3-6-12(7-8)9-1-4-11-5-2-9/h1-2,4-5,8H,3,6-7,10H2

InChIKey

GCCAFNNIPIJNFF-UHFFFAOYSA-N

Compound name

1-pyridin-4-ylpyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 163.11095 Da
Monoisotopic Mass: 0.2
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]+	164.11823	135.3
[M+Na]+	186.10017	146.7
[M+NH4]+	181.14477	144.0
[M+K]+	202.07411	142.2
[M-H]-	162.10367	138.6
[M+Na-2H]-	184.08562	142.7
[M]+	163.11040	137.6
[M]-	163.11150	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe