CID 56686577

1-(pyrimidin-2-yl)pyrrolidin-3-amine dihydrochloride

Structural Information

Molecular Formula

C₈H₁₂N₄

SMILES

C1CN(CC1N)C2=NC=CC=N2

InChI

InChI=1S/C8H12N4/c9-7-2-5-12(6-7)8-10-3-1-4-11-8/h1,3-4,7H,2,5-6,9H2

InChIKey

JHXYAXSRWKFHEG-UHFFFAOYSA-N

Compound name

1-pyrimidin-2-ylpyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 164.1062 Da
Monoisotopic Mass: -0.1
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]+	165.11348	134.8
[M+Na]+	187.09542	146.2
[M+NH4]+	182.14002	142.8
[M+K]+	203.06936	142.2
[M-H]-	163.09892	137.2
[M+Na-2H]-	185.08087	142.0
[M]+	164.10565	136.8
[M]-	164.10675	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe