CID 54595086

3-amino-1-(2-chlorophenyl)piperidin-2-one

Structural Information

Molecular Formula
C11H13ClN2O
SMILES
C1CC(C(=O)N(C1)C2=CC=CC=C2Cl)N
InChI
InChI=1S/C11H13ClN2O/c12-8-4-1-2-6-10(8)14-7-3-5-9(13)11(14)15/h1-2,4,6,9H,3,5,7,13H2
InChIKey
XVBRVRUTRBSVGR-UHFFFAOYSA-N
Compound name
3-amino-1-(2-chlorophenyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07164 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.078916 148.7
[M+Na]+ 247.060858 156.6
[M-H]- 223.064364 153.3
[M+NH4]+ 242.105463 166.0
[M+K]+ 263.034798 151.5
[M+H-H2O]+ 207.068900 141.8
[M+HCOO]- 269.069841 164.6
[M+CH3COO]- 283.085491 189.2
[M+Na-2H]- 245.046306 152.0
[M]+ 224.07109142 145.2
[M]- 224.07218858 145.2
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

No patent data available for this compound.