CID 13349629

2-(pyridin-3-yl)pyrimidine

Structural Information

Molecular Formula

C₉H₇N₃

SMILES

C1=CC(=CN=C1)C2=NC=CC=N2

InChI

InChI=1S/C9H7N3/c1-3-8(7-10-4-1)9-11-5-2-6-12-9/h1-7H

InChIKey

DYEAIDZAOQKZJM-UHFFFAOYSA-N

Compound name

2-pyridin-3-ylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 398
Patents: 157.064 Da
Monoisotopic Mass: 0.8
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]+	158.071276	130.7
[M+Na]+	180.053218	139.6
[M-H]-	156.056724	133.2
[M+NH4]+	175.097823	147.0
[M+K]+	196.027158	136.2
[M+H-H2O]+	140.061260	121.6
[M+HCOO]-	202.062201	152.6
[M+CH3COO]-	216.077851	143.8
[M+Na-2H]-	178.038666	141.8
[M]+	157.06345142	129.4
[M]-	157.06454858	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe