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

2
Patents

327.12936 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.136636 170.3
[M+Na]+ 350.118578 175.4
[M-H]- 326.122084 166.5
[M+NH4]+ 345.163183 184.1
[M+K]+ 366.092518 175.0
[M+H-H2O]+ 310.126620 163.0
[M+HCOO]- 372.127561 179.6
[M+CH3COO]- 386.143211 201.9
[M+Na-2H]- 348.104026 172.2
[M]+ 327.12881142 166.5
[M]- 327.12990858 166.5
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