CID 83687060

4-amino-1-benzyl-5-methylpyrrolidin-2-one hydrochloride

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC1C(CC(=O)N1CC2=CC=CC=C2)N
InChI
InChI=1S/C12H16N2O/c1-9-11(13)7-12(15)14(9)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3
InChIKey
WAOBUUMLISOCEV-UHFFFAOYSA-N
Compound name
4-amino-1-benzyl-5-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 145.9
[M+Na]+ 227.11549 153.4
[M-H]- 203.11899 151.0
[M+NH4]+ 222.16009 165.1
[M+K]+ 243.08943 150.0
[M+H-H2O]+ 187.12353 138.7
[M+HCOO]- 249.12447 168.4
[M+CH3COO]- 263.14012 188.0
[M+Na-2H]- 225.10094 147.8
[M]+ 204.12572 142.9
[M]- 204.12682 142.9
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.