CID 22721856

1-(pyrimidin-4-yl)piperidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

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

InChI

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

InChIKey

IGSRZNZMIICPQX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
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]+	208.108046	146.2
[M+Na]+	230.089988	151.9
[M-H]-	206.093494	146.7
[M+NH4]+	225.134593	159.6
[M+K]+	246.063928	149.0
[M+H-H2O]+	190.098030	137.0
[M+HCOO]-	252.098971	161.6
[M+CH3COO]-	266.114621	182.0
[M+Na-2H]-	228.075436	151.0
[M]+	207.10022142	141.1
[M]-	207.10131858	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe