CID 16769819

1-(pyrimidin-2-yl)piperidine-2-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

C1CCN(C(C1)C(=O)O)C2=NC=CC=N2

InChI

InChI=1S/C10H13N3O2/c14-9(15)8-4-1-2-7-13(8)10-11-5-3-6-12-10/h3,5-6,8H,1-2,4,7H2,(H,14,15)

InChIKey

SKENNNIZCVLEPM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 207.10077 Da
Monoisotopic Mass: 1.1
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