CID 25218865

1158317-15-7

Structural Information

Molecular Formula

C₁₄H₁₉N₃

SMILES

C1CC(CCC1CN)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C14H19N3/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-4,10-11H,5-9,15H2,(H,16,17)

InChIKey

AZNKXRKKYXSHKU-UHFFFAOYSA-N

Compound name

[4-(1H-benzimidazol-2-yl)cyclohexyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 229.1579 Da
Monoisotopic Mass: 2.4
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]+	230.165176	152.0
[M+Na]+	252.147118	158.6
[M-H]-	228.150624	154.7
[M+NH4]+	247.191723	168.9
[M+K]+	268.121058	152.8
[M+H-H2O]+	212.155160	143.5
[M+HCOO]-	274.156101	170.4
[M+CH3COO]-	288.171751	162.8
[M+Na-2H]-	250.132566	156.0
[M]+	229.15735142	146.2
[M]-	229.15844858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe