CID 594942

1158326-68-1

Structural Information

Molecular Formula

C₁₃H₁₇N₃

SMILES

C1CCC(CC1)C2=NC3=C(N2)C=C(C=C3)N

InChI

InChI=1S/C13H17N3/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h6-9H,1-5,14H2,(H,15,16)

InChIKey

BGKLDGPQFIVCGV-UHFFFAOYSA-N

Compound name

2-cyclohexyl-3H-benzimidazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 215.14224 Da
Monoisotopic Mass: 3.0
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]+	216.149516	147.5
[M+Na]+	238.131458	154.6
[M-H]-	214.134964	150.5
[M+NH4]+	233.176063	165.0
[M+K]+	254.105398	149.0
[M+H-H2O]+	198.139500	139.3
[M+HCOO]-	260.140441	166.3
[M+CH3COO]-	274.156091	158.8
[M+Na-2H]-	236.116906	152.1
[M]+	215.14169142	141.4
[M]-	215.14278858	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe