CID 47002372

3-amino-1-benzylpyrrolidin-2-one

Structural Information

Molecular Formula
C11H14N2O
SMILES
C1CN(C(=O)C1N)CC2=CC=CC=C2
InChI
InChI=1S/C11H14N2O/c12-10-6-7-13(11(10)14)8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2
InChIKey
PYQJCASYSZKDLN-UHFFFAOYSA-N
Compound name
3-amino-1-benzylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

190.11061 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 141.3
[M+Na]+ 213.099828 148.4
[M-H]- 189.103334 146.2
[M+NH4]+ 208.144433 160.8
[M+K]+ 229.073768 145.2
[M+H-H2O]+ 173.107870 134.0
[M+HCOO]- 235.108811 164.2
[M+CH3COO]- 249.124461 183.8
[M+Na-2H]- 211.085276 144.5
[M]+ 190.11006142 137.6
[M]- 190.11115858 137.6
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

patents stripe