CID 80495

5-methyl-1h-benzimidazol-2-amine

Structural Information

Molecular Formula

C₈H₉N₃

SMILES

CC1=CC2=C(C=C1)N=C(N2)N

InChI

InChI=1S/C8H9N3/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H3,9,10,11)

InChIKey

MZZZAWDOYQWKMR-UHFFFAOYSA-N

Compound name

6-methyl-1H-benzimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 192
Patents: 147.07965 Da
Monoisotopic Mass: 1.1
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	127.4
[M+Na]+	170.06887	140.6
[M+NH4]+	165.11347	136.1
[M+K]+	186.04281	136.2
[M-H]-	146.07237	129.2
[M+Na-2H]-	168.05432	134.2
[M]+	147.07910	129.6
[M]-	147.08020	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe