CID 43148803

945021-19-2

Structural Information

Molecular Formula

C₁₀H₁₁N₃

SMILES

C1CC1N2C3=CC=CC=C3N=C2N

InChI

InChI=1S/C10H11N3/c11-10-12-8-3-1-2-4-9(8)13(10)7-5-6-7/h1-4,7H,5-6H2,(H2,11,12)

InChIKey

ZHOYGOVZAALSPT-UHFFFAOYSA-N

Compound name

1-cyclopropylbenzimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 173.09529 Da
Monoisotopic Mass: 1.4
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]+	174.10257	137.9
[M+Na]+	196.08451	150.3
[M-H]-	172.08801	143.9
[M+NH4]+	191.12911	153.4
[M+K]+	212.05845	144.9
[M+H-H2O]+	156.09255	130.5
[M+HCOO]-	218.09349	162.4
[M+CH3COO]-	232.10914	151.6
[M+Na-2H]-	194.06996	145.1
[M]+	173.09474	140.2
[M]-	173.09584	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe