CID 13639423

108831-49-8

Structural Information

Molecular Formula

C₈H₁₁N₃

SMILES

C1CC(NC1)C2=NC=NC=C2

InChI

InChI=1S/C8H11N3/c1-2-7(10-4-1)8-3-5-9-6-11-8/h3,5-7,10H,1-2,4H2

InChIKey

AXENJVBPOZAZTL-UHFFFAOYSA-N

Compound name

4-pyrrolidin-2-ylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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]+	150.10257	131.2
[M+Na]+	172.08451	137.8
[M-H]-	148.08801	131.9
[M+NH4]+	167.12911	148.9
[M+K]+	188.05845	134.9
[M+H-H2O]+	132.09255	122.5
[M+HCOO]-	194.09349	149.9
[M+CH3COO]-	208.10914	143.1
[M+Na-2H]-	170.06996	137.2
[M]+	149.09474	125.7
[M]-	149.09584	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe