CID 122164389

Rac-(4r,5s)-4-(aminomethyl)-1-ethyl-5-(pyridin-4-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C12H17N3O
SMILES
CCN1[C@@H]([C@H](CC1=O)CN)C2=CC=NC=C2
InChI
InChI=1S/C12H17N3O/c1-2-15-11(16)7-10(8-13)12(15)9-3-5-14-6-4-9/h3-6,10,12H,2,7-8,13H2,1H3/t10-,12-/m1/s1
InChIKey
WJTUJUYEBRMSNH-ZYHUDNBSSA-N
Compound name
(4R,5S)-4-(aminomethyl)-1-ethyl-5-pyridin-4-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.13716 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14444 150.5
[M+Na]+ 242.12638 158.1
[M-H]- 218.12988 154.2
[M+NH4]+ 237.17098 167.8
[M+K]+ 258.10032 154.5
[M+H-H2O]+ 202.13442 142.3
[M+HCOO]- 264.13536 171.7
[M+CH3COO]- 278.15101 190.8
[M+Na-2H]- 240.11183 152.3
[M]+ 219.13661 148.0
[M]- 219.13771 148.0
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.