CID 11593548

267874-51-1

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: 156
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	127.1
[M+Na]+	170.06887	137.2
[M-H]-	146.07237	127.9
[M+NH4]+	165.11347	147.7
[M+K]+	186.04281	133.1
[M+H-H2O]+	130.07691	120.4
[M+HCOO]-	192.07785	150.5
[M+CH3COO]-	206.09350	140.9
[M+Na-2H]-	168.05432	135.8
[M]+	147.07910	125.6
[M]-	147.08020	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe