CID 415158

29518-68-1

Structural Information

Molecular Formula

C₉H₁₁N₃

SMILES

C1=CC=C2C(=C1)NC(=N2)CCN

InChI

InChI=1S/C9H11N3/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6,10H2,(H,11,12)

InChIKey

GJEPMYMUORZPMP-UHFFFAOYSA-N

Compound name

2-(1H-benzimidazol-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 442
Patents: 161.09529 Da
Monoisotopic Mass: 0.6
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	131.7
[M+Na]+	184.08451	141.3
[M-H]-	160.08801	132.3
[M+NH4]+	179.12911	151.8
[M+K]+	200.05845	137.0
[M+H-H2O]+	144.09255	124.7
[M+HCOO]-	206.09349	154.8
[M+CH3COO]-	220.10914	145.0
[M+Na-2H]-	182.06996	139.9
[M]+	161.09474	130.5
[M]-	161.09584	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe