CID 107605

4915-39-3

Structural Information

Molecular Formula
C11H14N2O
SMILES
C[C@@H]1C[C@H](C(=O)N1C2=CC=CC=C2)N
InChI
InChI=1S/C11H14N2O/c1-8-7-10(12)11(14)13(8)9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3/t8-,10-/m1/s1
InChIKey
XGXDBLPZUSKNSA-PSASIEDQSA-N
Compound name
(3R,5R)-3-amino-5-methyl-1-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

190.11061 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 141.3
[M+Na]+ 213.09983 149.3
[M-H]- 189.10333 146.6
[M+NH4]+ 208.14443 161.1
[M+K]+ 229.07377 146.1
[M+H-H2O]+ 173.10787 134.3
[M+HCOO]- 235.10881 164.1
[M+CH3COO]- 249.12446 185.0
[M+Na-2H]- 211.08528 143.7
[M]+ 190.11006 138.0
[M]- 190.11116 138.0
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.