CID 2771112

4875-43-8

Structural Information

Molecular Formula

C₁₃H₁₅N₃

SMILES

CC1=CC=C(C=C1)C2C3=C(CCN2)NC=N3

InChI

InChI=1S/C13H15N3/c1-9-2-4-10(5-3-9)12-13-11(6-7-14-12)15-8-16-13/h2-5,8,12,14H,6-7H2,1H3,(H,15,16)

InChIKey

SVKCSYVDFSFJPN-UHFFFAOYSA-N

Compound name

4-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 213.1266 Da
Monoisotopic Mass: 1.6
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]+	214.133876	149.3
[M+Na]+	236.115818	156.8
[M-H]-	212.119324	150.0
[M+NH4]+	231.160423	165.2
[M+K]+	252.089758	150.6
[M+H-H2O]+	196.123860	140.6
[M+HCOO]-	258.124801	164.8
[M+CH3COO]-	272.140451	159.9
[M+Na-2H]-	234.101266	153.6
[M]+	213.12605142	143.4
[M]-	213.12714858	143.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.