CID 17846

2851-13-0

Structural Information

Molecular Formula

C₉H₁₁N₃

SMILES

CN(C)C1=NC2=CC=CC=C2N1

InChI

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

InChIKey

NMTCCVZABWWGSB-UHFFFAOYSA-N

Compound name

N,N-dimethyl-1H-benzimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 85
Patents: 161.09529 Da
Monoisotopic Mass: 1.7
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]+	162.10257	131.7
[M+Na]+	184.08451	141.5
[M-H]-	160.08801	134.4
[M+NH4]+	179.12911	152.8
[M+K]+	200.05845	138.9
[M+H-H2O]+	144.09255	124.6
[M+HCOO]-	206.09349	155.9
[M+CH3COO]-	220.10914	145.9
[M+Na-2H]-	182.06996	140.2
[M]+	161.09474	132.8
[M]-	161.09584	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe