CID 11593548

(1h-benzimidazol-5-ylmethyl)amine dihydrochloride

Structural Information

Molecular Formula

C₈H₉N₃

SMILES

C1=CC2=C(C=C1CN)NC=N2

InChI

InChI=1S/C8H9N3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,4,9H2,(H,10,11)

InChIKey

WHYXSYWCALWOKX-UHFFFAOYSA-N

Compound name

3H-benzimidazol-5-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 116
Patents: 147.07965 Da
Monoisotopic Mass: 0.2
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]+	148.08693	127.3
[M+Na]+	170.06887	140.2
[M+NH4]+	165.11347	136.1
[M+K]+	186.04281	135.6
[M-H]-	146.07237	129.1
[M+Na-2H]-	168.05432	134.4
[M]+	147.07910	129.5
[M]-	147.08020	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe