CID 124466059

Rac-(4r,5s)-4-amino-1-cyclopropyl-5-(pyridin-3-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C12H15N3O
SMILES
C1CC1N2[C@H]([C@H](CC2=O)N)C3=CN=CC=C3
InChI
InChI=1S/C12H15N3O/c13-10-6-11(16)15(9-3-4-9)12(10)8-2-1-5-14-7-8/h1-2,5,7,9-10,12H,3-4,6,13H2/t10-,12-/m0/s1
InChIKey
BIWGSXQRPDRLJY-JQWIXIFHSA-N
Compound name
(4S,5S)-4-amino-1-cyclopropyl-5-pyridin-3-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 150.7
[M+Na]+ 240.11072 163.7
[M+NH4]+ 235.15532 159.2
[M+K]+ 256.08466 160.6
[M-H]- 216.11422 161.6
[M+Na-2H]- 238.09617 159.9
[M]+ 217.12095 156.6
[M]- 217.12205 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.