CID 45073949

Tert-butyl 4-(4-fluorophenyl)-3-oxopiperidine-1-carboxylate

Structural Information

Molecular Formula
C16H20FNO3
SMILES
CC(C)(C)OC(=O)N1CCC(C(=O)C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C16H20FNO3/c1-16(2,3)21-15(20)18-9-8-13(14(19)10-18)11-4-6-12(17)7-5-11/h4-7,13H,8-10H2,1-3H3
InChIKey
KBMQNGYUUCXJRM-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-fluorophenyl)-3-oxopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

293.14273 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.15001 167.5
[M+Na]+ 316.13195 173.8
[M-H]- 292.13545 171.2
[M+NH4]+ 311.17655 181.8
[M+K]+ 332.10589 171.1
[M+H-H2O]+ 276.13999 159.0
[M+HCOO]- 338.14093 183.0
[M+CH3COO]- 352.15658 201.6
[M+Na-2H]- 314.11740 168.7
[M]+ 293.14218 165.2
[M]- 293.14328 165.2
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

patents stripe