CID 110641

5301-29-1

Structural Information

Molecular Formula
C15H19FN2O
SMILES
C1CCN(CC1)C2CCN(C2=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C15H19FN2O/c16-12-4-6-13(7-5-12)18-11-8-14(15(18)19)17-9-2-1-3-10-17/h4-7,14H,1-3,8-11H2
InChIKey
YQTAUCCALHOTQC-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-piperidin-1-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.14813 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.15541 161.5
[M+Na]+ 285.13735 166.8
[M-H]- 261.14085 166.2
[M+NH4]+ 280.18195 176.6
[M+K]+ 301.11129 162.2
[M+H-H2O]+ 245.14539 151.0
[M+HCOO]- 307.14633 177.1
[M+CH3COO]- 321.16198 171.5
[M+Na-2H]- 283.12280 160.5
[M]+ 262.14758 153.7
[M]- 262.14868 153.7
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.