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 144.7
[M+Na]+ 231.09042 151.9
[M-H]- 207.09392 148.2
[M+NH4]+ 226.13502 161.7
[M+K]+ 247.06436 148.2
[M+H-H2O]+ 191.09846 136.2
[M+HCOO]- 253.09940 164.2
[M+CH3COO]- 267.11505 188.2
[M+Na-2H]- 229.07587 148.0
[M]+ 208.10065 138.0
[M]- 208.10175 138.1
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.