CID 122163367

1909288-68-1

Structural Information

Molecular Formula
C11H15N3O
SMILES
CN1[C@@H]([C@H](CC1=O)CN)C2=CN=CC=C2
InChI
InChI=1S/C11H15N3O/c1-14-10(15)5-9(6-12)11(14)8-3-2-4-13-7-8/h2-4,7,9,11H,5-6,12H2,1H3/t9-,11-/m1/s1
InChIKey
ZEMJKHDUMSCSIO-MWLCHTKSSA-N
Compound name
(4R,5S)-4-(aminomethyl)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.1215 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.12878 146.0
[M+Na]+ 228.11072 154.0
[M-H]- 204.11422 149.9
[M+NH4]+ 223.15532 163.8
[M+K]+ 244.08466 150.7
[M+H-H2O]+ 188.11876 138.0
[M+HCOO]- 250.11970 167.5
[M+CH3COO]- 264.13535 187.8
[M+Na-2H]- 226.09617 148.4
[M]+ 205.12095 143.2
[M]- 205.12205 143.2
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.