CID 14012861

1234709-96-6

Structural Information

Molecular Formula

C₁₃H₁₇N₃

SMILES

C1CNCCC1CC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C13H17N3/c1-2-4-12-11(3-1)15-13(16-12)9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2,(H,15,16)

InChIKey

AJDJDMWYUXQCIF-UHFFFAOYSA-N

Compound name

2-(piperidin-4-ylmethyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 215.14224 Da
Monoisotopic Mass: 1.9
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	148.9
[M+Na]+	238.131458	155.4
[M-H]-	214.134964	149.1
[M+NH4]+	233.176063	164.4
[M+K]+	254.105398	149.2
[M+H-H2O]+	198.139500	139.9
[M+HCOO]-	260.140441	164.3
[M+CH3COO]-	274.156091	159.0
[M+Na-2H]-	236.116906	154.0
[M]+	215.14169142	142.6
[M]-	215.14278858	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe