CID 17325507

1158579-15-7

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₂

SMILES

C1CN(CCC1C(=O)O)CC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C14H17N3O2/c18-14(19)10-5-7-17(8-6-10)9-13-15-11-3-1-2-4-12(11)16-13/h1-4,10H,5-9H2,(H,15,16)(H,18,19)

InChIKey

TWTNYIPWRNJLJV-UHFFFAOYSA-N

Compound name

1-(1H-benzimidazol-2-ylmethyl)piperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 259.13208 Da
Monoisotopic Mass: -0.9
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]+	260.139356	159.3
[M+Na]+	282.121298	165.9
[M-H]-	258.124804	159.9
[M+NH4]+	277.165903	173.0
[M+K]+	298.095238	160.6
[M+H-H2O]+	242.129340	150.4
[M+HCOO]-	304.130281	173.9
[M+CH3COO]-	318.145931	169.0
[M+Na-2H]-	280.106746	162.1
[M]+	259.13153142	155.2
[M]-	259.13262858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe