CID 18542479

2-(pyrrolidin-2-yl)pyrimidine dihydrochloride

Structural Information

Molecular Formula

C₈H₁₁N₃

SMILES

C1CC(NC1)C2=NC=CC=N2

InChI

InChI=1S/C8H11N3/c1-3-7(9-4-1)8-10-5-2-6-11-8/h2,5-7,9H,1,3-4H2

InChIKey

ZSWGTTPYUUGGDI-UHFFFAOYSA-N

Compound name

2-pyrrolidin-2-ylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 149.09529 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]+	150.102566	131.2
[M+Na]+	172.084508	137.8
[M-H]-	148.088014	131.9
[M+NH4]+	167.129113	148.9
[M+K]+	188.058448	134.9
[M+H-H2O]+	132.092550	122.5
[M+HCOO]-	194.093491	149.9
[M+CH3COO]-	208.109141	143.1
[M+Na-2H]-	170.069956	137.2
[M]+	149.09474142	125.7
[M]-	149.09583858	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe