CID 965355

3527-19-3

Structural Information

Molecular Formula

C₉H₁₁N₃

SMILES

CC1=NC2=C(N1C)C=CC(=C2)N

InChI

InChI=1S/C9H11N3/c1-6-11-8-5-7(10)3-4-9(8)12(6)2/h3-5H,10H2,1-2H3

InChIKey

KHIGSIBNOPKCOT-UHFFFAOYSA-N

Compound name

1,2-dimethylbenzimidazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 161.09529 Da
Monoisotopic Mass: 1.2
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]+	162.10257	132.0
[M+Na]+	184.08451	144.0
[M-H]-	160.08801	134.9
[M+NH4]+	179.12911	153.6
[M+K]+	200.05845	140.5
[M+H-H2O]+	144.09255	125.5
[M+HCOO]-	206.09349	156.6
[M+CH3COO]-	220.10914	146.8
[M+Na-2H]-	182.06996	139.2
[M]+	161.09474	133.6
[M]-	161.09584	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe