CID 45792146

1-[(tert-butoxy)carbonyl]-4-(2,2,2-trifluoroethoxy)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C13H20F3NO5
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)OCC(F)(F)F
InChI
InChI=1S/C13H20F3NO5/c1-11(2,3)22-10(20)17-6-4-12(5-7-17,9(18)19)21-8-13(14,15)16/h4-8H2,1-3H3,(H,18,19)
InChIKey
NRFQKVVPSMUFLT-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2,2,2-trifluoroethoxy)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.12936 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.13664 170.3
[M+Na]+ 350.11858 175.4
[M+NH4]+ 345.16318 166.5
[M+K]+ 366.09252 184.1
[M-H]- 326.12208 175.0
[M+Na-2H]- 348.10403 163.0
[M]+ 327.12881 179.6
[M]- 327.12991 201.9
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.