CID 146479

19213-19-5

Structural Information

Molecular Formula

C₁₃H₁₇N₃

SMILES

C1CCN(CC1)CN2C=NC3=CC=CC=C32

InChI

InChI=1S/C13H17N3/c1-4-8-15(9-5-1)11-16-10-14-12-6-2-3-7-13(12)16/h2-3,6-7,10H,1,4-5,8-9,11H2

InChIKey

LUNWKJHAANLIKU-UHFFFAOYSA-N

Compound name

1-(piperidin-1-ylmethyl)benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 35
Patents: 215.14224 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]+	216.149516	148.5
[M+Na]+	238.131458	155.8
[M-H]-	214.134964	151.4
[M+NH4]+	233.176063	165.5
[M+K]+	254.105398	151.4
[M+H-H2O]+	198.139500	138.8
[M+HCOO]-	260.140441	166.9
[M+CH3COO]-	274.156091	160.0
[M+Na-2H]-	236.116906	154.3
[M]+	215.14169142	145.8
[M]-	215.14278858	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe