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]+ 225.07892 148.7
[M+Na]+ 247.06086 156.6
[M-H]- 223.06436 153.3
[M+NH4]+ 242.10546 166.0
[M+K]+ 263.03480 151.5
[M+H-H2O]+ 207.06890 141.8
[M+HCOO]- 269.06984 164.6
[M+CH3COO]- 283.08549 189.2
[M+Na-2H]- 245.04631 152.0
[M]+ 224.07109 145.2
[M]- 224.07219 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.