CID 102489

4-amino-1-phenylpyrrolidin-2-one hydrochloride

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1C(CN(C1=O)C2=CC=CC=C2)N
InChI
InChI=1S/C10H12N2O/c11-8-6-10(13)12(7-8)9-4-2-1-3-5-9/h1-5,8H,6-7,11H2
InChIKey
UDKJUMSGHZGQEH-UHFFFAOYSA-N
Compound name
4-amino-1-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

29
Patents

176.09496 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 138.1
[M+Na]+ 199.08418 149.5
[M+NH4]+ 194.12878 146.7
[M+K]+ 215.05812 145.1
[M-H]- 175.08768 141.6
[M+Na-2H]- 197.06963 144.9
[M]+ 176.09441 140.5
[M]- 176.09551 140.5
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