CID 132327606

Methyl 4-hydroxy-1-(pyrazin-2-yl)pyrrolidine-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₃

SMILES

COC(=O)C1CC(CN1C2=NC=CN=C2)O

InChI

InChI=1S/C10H13N3O3/c1-16-10(15)8-4-7(14)6-13(8)9-5-11-2-3-12-9/h2-3,5,7-8,14H,4,6H2,1H3

InChIKey

PQWITPRHNZZRGQ-UHFFFAOYSA-N

Compound name

methyl 4-hydroxy-1-pyrazin-2-ylpyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 223.09569 Da
Monoisotopic Mass: -0.3
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]+	224.102966	148.4
[M+Na]+	246.084908	155.9
[M-H]-	222.088414	150.0
[M+NH4]+	241.129513	163.5
[M+K]+	262.058848	153.8
[M+H-H2O]+	206.092950	139.9
[M+HCOO]-	268.093891	166.4
[M+CH3COO]-	282.109541	184.1
[M+Na-2H]-	244.070356	150.9
[M]+	223.09514142	147.3
[M]-	223.09623858	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.