CID 49761154

Tert-butyl 4-(3,3,3-trifluoro-2-oxopropyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C13H20F3NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)C(F)(F)F
InChI
InChI=1S/C13H20F3NO3/c1-12(2,3)20-11(19)17-6-4-9(5-7-17)8-10(18)13(14,15)16/h9H,4-8H2,1-3H3
InChIKey
NOISIVWXJWZBLE-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3,3,3-trifluoro-2-oxopropyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.13953 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14681 165.5
[M+Na]+ 318.12875 170.4
[M-H]- 294.13225 162.9
[M+NH4]+ 313.17335 179.5
[M+K]+ 334.10269 169.2
[M+H-H2O]+ 278.13679 157.1
[M+HCOO]- 340.13773 176.0
[M+CH3COO]- 354.15338 200.6
[M+Na-2H]- 316.11420 165.9
[M]+ 295.13898 160.3
[M]- 295.14008 160.3
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.