CID 54593815

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

Structural Information

Molecular Formula
C11H13FN2O
SMILES
C1CC(C(=O)N(C1)C2=CC(=CC=C2)F)N
InChI
InChI=1S/C11H13FN2O/c12-8-3-1-4-9(7-8)14-6-2-5-10(13)11(14)15/h1,3-4,7,10H,2,5-6,13H2
InChIKey
CJSDQGAHEZCMEI-UHFFFAOYSA-N
Compound name
3-amino-1-(3-fluorophenyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.1012 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10848 146.1
[M+Na]+ 231.09042 157.7
[M+NH4]+ 226.13502 153.9
[M+K]+ 247.06436 151.2
[M-H]- 207.09392 148.7
[M+Na-2H]- 229.07587 152.5
[M]+ 208.10065 148.2
[M]- 208.10175 148.2
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.