CID 3048221

3-amino-1-phenylpyrrolidin-2-one

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1CN(C(=O)C1N)C2=CC=CC=C2
InChI
InChI=1S/C10H12N2O/c11-9-6-7-12(10(9)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2
InChIKey
CLKQZOVQZNETMH-UHFFFAOYSA-N
Compound name
3-amino-1-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

129
Patents

176.09496 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 136.8
[M+Na]+ 199.08418 144.3
[M-H]- 175.08768 141.8
[M+NH4]+ 194.12878 156.8
[M+K]+ 215.05812 141.3
[M+H-H2O]+ 159.09222 129.7
[M+HCOO]- 221.09316 160.0
[M+CH3COO]- 235.10881 180.8
[M+Na-2H]- 197.06963 140.5
[M]+ 176.09441 132.7
[M]- 176.09551 132.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe