CID 61253166

En300-27750774

Structural Information

Molecular Formula

C₉H₁₁N₃O₂

SMILES

C1CC(N(C1)C2=NC=NC=C2)C(=O)O

InChI

InChI=1S/C9H11N3O2/c13-9(14)7-2-1-5-12(7)8-3-4-10-6-11-8/h3-4,6-7H,1-2,5H2,(H,13,14)

InChIKey

NHVYXNXFTNJONW-UHFFFAOYSA-N

Compound name

1-pyrimidin-4-ylpyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 193.08513 Da
Monoisotopic Mass: 0.8
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]+	194.09241	141.9
[M+Na]+	216.07435	152.8
[M+NH4]+	211.11895	148.5
[M+K]+	232.04829	150.0
[M-H]-	192.07785	142.3
[M+Na-2H]-	214.05980	147.6
[M]+	193.08458	143.2
[M]-	193.08568	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe