CID 20631685

N,2-dimethyl-1h-1,3-benzodiazol-5-amine dihydrochloride

Structural Information

Molecular Formula

C₉H₁₁N₃

SMILES

CC1=NC2=C(N1)C=C(C=C2)NC

InChI

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

InChIKey

DYENYAGZGJWUMN-UHFFFAOYSA-N

Compound name

N,2-dimethyl-3H-benzimidazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 161.09529 Da
Monoisotopic Mass: 2.1
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]+	162.10257	131.9
[M+Na]+	184.08451	145.3
[M+NH4]+	179.12911	140.7
[M+K]+	200.05845	140.4
[M-H]-	160.08801	133.9
[M+Na-2H]-	182.06996	138.9
[M]+	161.09474	134.3
[M]-	161.09584	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe