CID 693231

163959-79-3

Structural Information

Molecular Formula

C₉H₁₁N₃

SMILES

C[C@@H](C1=NC2=CC=CC=C2N1)N

InChI

InChI=1S/C9H11N3/c1-6(10)9-11-7-4-2-3-5-8(7)12-9/h2-6H,10H2,1H3,(H,11,12)/t6-/m0/s1

InChIKey

NXSULSSADMIWQD-LURJTMIESA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 101
Patents: 161.09529 Da
Monoisotopic Mass: 1.0
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]+	162.102566	132.6
[M+Na]+	184.084508	141.9
[M-H]-	160.088014	133.4
[M+NH4]+	179.129113	152.6
[M+K]+	200.058448	138.1
[M+H-H2O]+	144.092550	125.8
[M+HCOO]-	206.093491	154.6
[M+CH3COO]-	220.109141	145.8
[M+Na-2H]-	182.069956	139.5
[M]+	161.09474142	130.8
[M]-	161.09583858	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe