CID 122164389

1989638-20-1

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 151.1
[M+Na]+ 242.12638 162.2
[M+NH4]+ 237.17098 158.4
[M+K]+ 258.10032 157.8
[M-H]- 218.12988 153.7
[M+Na-2H]- 240.11183 156.6
[M]+ 219.13661 153.1
[M]- 219.13771 153.1
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.