CID 10313324

148257-48-1

Structural Information

Molecular Formula

C₁₀H₁₁N₃

SMILES

CC1=NC=CN1CC2=CC=CC=N2

InChI

InChI=1S/C10H11N3/c1-9-11-6-7-13(9)8-10-4-2-3-5-12-10/h2-7H,8H2,1H3

InChIKey

CTUICISGLKIJLG-UHFFFAOYSA-N

Compound name

2-[(2-methylimidazol-1-yl)methyl]pyridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 35
Patents: 173.09529 Da
Monoisotopic Mass: 1.0
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]+	174.102566	136.0
[M+Na]+	196.084508	145.4
[M-H]-	172.088014	139.0
[M+NH4]+	191.129113	154.0
[M+K]+	212.058448	142.2
[M+H-H2O]+	156.092550	127.2
[M+HCOO]-	218.093491	158.6
[M+CH3COO]-	232.109141	149.4
[M+Na-2H]-	194.069956	142.9
[M]+	173.09474142	136.4
[M]-	173.09583858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe