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: 86
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]+	162.10257	132.2
[M+Na]+	184.08451	144.4
[M+NH4]+	179.12911	140.6
[M+K]+	200.05845	140.4
[M-H]-	160.08801	133.7
[M+Na-2H]-	182.06996	138.6
[M]+	161.09474	134.2
[M]-	161.09584	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe