CID 53249940

733757-79-4

Structural Information

Molecular Formula
C12H16F3NO4
SMILES
CC(C)(C)OC(=O)N1CCC(=O)C(C1)C(=O)C(F)(F)F
InChI
InChI=1S/C12H16F3NO4/c1-11(2,3)20-10(19)16-5-4-8(17)7(6-16)9(18)12(13,14)15/h7H,4-6H2,1-3H3
InChIKey
SLHNDMPEIUPCNG-UHFFFAOYSA-N
Compound name
tert-butyl 4-oxo-3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

295.10315 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11043 161.0
[M+Na]+ 318.09237 167.5
[M-H]- 294.09587 159.0
[M+NH4]+ 313.13697 175.2
[M+K]+ 334.06631 166.5
[M+H-H2O]+ 278.10041 153.1
[M+HCOO]- 340.10135 172.2
[M+CH3COO]- 354.11700 200.1
[M+Na-2H]- 316.07782 161.7
[M]+ 295.10260 156.6
[M]- 295.10370 156.6
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