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

104
Patents

193.08513 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 141.0
[M+Na]+ 216.074348 148.0
[M-H]- 192.077854 142.2
[M+NH4]+ 211.118953 157.0
[M+K]+ 232.048288 145.6
[M+H-H2O]+ 176.082390 132.4
[M+HCOO]- 238.083331 159.1
[M+CH3COO]- 252.098981 178.5
[M+Na-2H]- 214.059796 144.6
[M]+ 193.08458142 137.8
[M]- 193.08567858 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe