CID 12425570

2-amino-1,3-dimethyl-1h-1,3-benzodiazol-3-ium chloride

Structural Information

Molecular Formula

C₉H₁₂N₃

SMILES

CN1C2=CC=CC=C2[N+](=C1N)C

InChI

InChI=1S/C9H11N3/c1-11-7-5-3-4-6-8(7)12(2)9(11)10/h3-6,10H,1-2H3/p+1

InChIKey

YXNFHGHSCAMOIK-UHFFFAOYSA-O

Compound name

1,3-dimethylbenzimidazol-3-ium-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 162.10312 Da
Monoisotopic Mass: 1.2
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]+	163.11040	132.0
[M+Na]+	185.09234	143.8
[M-H]-	161.09584	135.2
[M+NH4]+	180.13694	153.2
[M+K]+	201.06628	135.0
[M+H-H2O]+	145.10038	128.2
[M+HCOO]-	207.10132	156.3
[M+CH3COO]-	221.11697	174.6
[M+Na-2H]-	183.07779	141.6
[M]+	162.10257	132.2
[M]-	162.10367	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe