CID 41504

1h-benzimidazole-1-ethanamine

Structural Information

Molecular Formula

C₉H₁₁N₃

SMILES

C1=CC=C2C(=C1)N=CN2CCN

InChI

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

InChIKey

LXZGUUDIJIOTJB-UHFFFAOYSA-N

Compound name

2-(benzimidazol-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 148
Patents: 161.09529 Da
Monoisotopic Mass: 0.4
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]+	162.10257	131.3
[M+Na]+	184.08451	141.4
[M-H]-	160.08801	133.3
[M+NH4]+	179.12911	152.2
[M+K]+	200.05845	138.0
[M+H-H2O]+	144.09255	124.1
[M+HCOO]-	206.09349	156.0
[M+CH3COO]-	220.10914	145.4
[M+Na-2H]-	182.06996	140.0
[M]+	161.09474	132.0
[M]-	161.09584	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe