CID 12224324

6595-21-7

Structural Information

Molecular Formula

C₉H₁₁N₃

SMILES

CNC1=NC2=CC=CC=C2N1C

InChI

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

InChIKey

SDXJSNHZYJUECQ-UHFFFAOYSA-N

Compound name

N,1-dimethylbenzimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 161.09529 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]+	162.10257	131.3
[M+Na]+	184.08451	142.3
[M-H]-	160.08801	134.2
[M+NH4]+	179.12911	152.7
[M+K]+	200.05845	139.2
[M+H-H2O]+	144.09255	124.3
[M+HCOO]-	206.09349	156.5
[M+CH3COO]-	220.10914	146.0
[M+Na-2H]-	182.06996	140.2
[M]+	161.09474	133.4
[M]-	161.09584	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe