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-H]- 326.12208 166.5
[M+NH4]+ 345.16318 184.1
[M+K]+ 366.09252 175.0
[M+H-H2O]+ 310.12662 163.0
[M+HCOO]- 372.12756 179.6
[M+CH3COO]- 386.14321 201.9
[M+Na-2H]- 348.10403 172.2
[M]+ 327.12881 166.5
[M]- 327.12991 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

No patent data available for this compound.