CID 683956

1-(3-aminophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1CC(=O)N(C1)C2=CC=CC(=C2)N
InChI
InChI=1S/C10H12N2O/c11-8-3-1-4-9(7-8)12-6-2-5-10(12)13/h1,3-4,7H,2,5-6,11H2
InChIKey
ZQGGRBIDRBYUJS-UHFFFAOYSA-N
Compound name
1-(3-aminophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

215
Patents

176.09496 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.102236 136.8
[M+Na]+ 199.084178 144.3
[M-H]- 175.087684 141.8
[M+NH4]+ 194.128783 156.8
[M+K]+ 215.058118 141.3
[M+H-H2O]+ 159.092220 129.7
[M+HCOO]- 221.093161 160.0
[M+CH3COO]- 235.108811 180.8
[M+Na-2H]- 197.069626 140.5
[M]+ 176.09441142 132.7
[M]- 176.09550858 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