CID 69082050

1h-imidazol-4-yl(phenyl)methanamine dihydrochloride

Structural Information

Molecular Formula

C₁₀H₁₁N₃

SMILES

C1=CC=C(C=C1)C(C2=CN=CN2)N

InChI

InChI=1S/C10H11N3/c11-10(9-6-12-7-13-9)8-4-2-1-3-5-8/h1-7,10H,11H2,(H,12,13)

InChIKey

JLSUNRBFULQCJT-UHFFFAOYSA-N

Compound name

1H-imidazol-5-yl(phenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 173.09529 Da
Monoisotopic Mass: 0.7
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]+	174.10257	136.1
[M+Na]+	196.08451	142.9
[M-H]-	172.08801	138.5
[M+NH4]+	191.12911	153.8
[M+K]+	212.05845	139.1
[M+H-H2O]+	156.09255	128.0
[M+HCOO]-	218.09349	158.0
[M+CH3COO]-	232.10914	148.4
[M+Na-2H]-	194.06996	141.7
[M]+	173.09474	131.5
[M]-	173.09584	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe