CID 2767267

303144-44-7

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

C1CN(CCC1C(=O)O)C2=NC=CC=N2

InChI

InChI=1S/C10H13N3O2/c14-9(15)8-2-6-13(7-3-8)10-11-4-1-5-12-10/h1,4-5,8H,2-3,6-7H2,(H,14,15)

InChIKey

DYVXURZASBPYFR-UHFFFAOYSA-N

Compound name

1-pyrimidin-2-ylpiperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 88
Patents: 207.10077 Da
Monoisotopic Mass: 0.7
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]+	208.10805	146.3
[M+Na]+	230.08999	158.2
[M+NH4]+	225.13459	153.0
[M+K]+	246.06393	153.0
[M-H]-	206.09349	147.5
[M+Na-2H]-	228.07544	152.7
[M]+	207.10022	148.0
[M]-	207.10132	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe