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]+ 209.108476 144.7
[M+Na]+ 231.090418 151.9
[M-H]- 207.093924 148.2
[M+NH4]+ 226.135023 161.7
[M+K]+ 247.064358 148.2
[M+H-H2O]+ 191.098460 136.2
[M+HCOO]- 253.099401 164.2
[M+CH3COO]- 267.115051 188.2
[M+Na-2H]- 229.075866 148.0
[M]+ 208.10065142 138.1
[M]- 208.10174858 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.