CID 676146

1-(4-aminophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1CC(=O)N(C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H12N2O/c11-8-3-5-9(6-4-8)12-7-1-2-10(12)13/h3-6H,1-2,7,11H2
InChIKey
IOMOVAPYJQVJDK-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

453
Patents

176.09496 Da
Monoisotopic Mass

0.7
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