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]+ 206.128776 146.0
[M+Na]+ 228.110718 154.0
[M-H]- 204.114224 149.9
[M+NH4]+ 223.155323 163.8
[M+K]+ 244.084658 150.7
[M+H-H2O]+ 188.118760 138.0
[M+HCOO]- 250.119701 167.5
[M+CH3COO]- 264.135351 187.8
[M+Na-2H]- 226.096166 148.4
[M]+ 205.12095142 143.2
[M]- 205.12204858 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.