CID 13062315

1-(3-amino-4-chlorophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H11ClN2O
SMILES
C1CC(=O)N(C1)C2=CC(=C(C=C2)Cl)N
InChI
InChI=1S/C10H11ClN2O/c11-8-4-3-7(6-9(8)12)13-5-1-2-10(13)14/h3-4,6H,1-2,5,12H2
InChIKey
HBHRGBJNYKUBGG-UHFFFAOYSA-N
Compound name
1-(3-amino-4-chlorophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

210.05598 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06326 144.8
[M+Na]+ 233.04520 154.0
[M-H]- 209.04870 149.9
[M+NH4]+ 228.08980 164.6
[M+K]+ 249.01914 149.1
[M+H-H2O]+ 193.05324 138.4
[M+HCOO]- 255.05418 163.3
[M+CH3COO]- 269.06983 185.8
[M+Na-2H]- 231.03065 147.1
[M]+ 210.05543 143.0
[M]- 210.05653 143.0
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