CID 10012394

4-(1h-imidazol-1-yl)-3-methylaniline

Structural Information

Molecular Formula

C₁₀H₁₁N₃

SMILES

CC1=C(C=CC(=C1)N)N2C=CN=C2

InChI

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

InChIKey

IDERBIIMSOEWBR-UHFFFAOYSA-N

Compound name

4-imidazol-1-yl-3-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 173.09529 Da
Monoisotopic Mass: 1.4
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	135.8
[M+Na]+	196.08451	145.2
[M-H]-	172.08801	140.1
[M+NH4]+	191.12911	154.9
[M+K]+	212.05845	141.7
[M+H-H2O]+	156.09255	127.9
[M+HCOO]-	218.09349	160.2
[M+CH3COO]-	232.10914	149.5
[M+Na-2H]-	194.06996	141.5
[M]+	173.09474	134.4
[M]-	173.09584	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe