CID 7064000

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

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1CC(=O)N(C1)C2=CC=CC=C2N
InChI
InChI=1S/C10H12N2O/c11-8-4-1-2-5-9(8)12-7-3-6-10(12)13/h1-2,4-5H,3,6-7,11H2
InChIKey
OFWIPSFSNBNOQC-UHFFFAOYSA-N
Compound name
1-(2-aminophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
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

No literature data available for this compound.

Patent stripe

patents stripe