CID 16227415

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
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

literature stripe

Patent stripe

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