CID 138987332

2228962-73-8

Structural Information

Molecular Formula
C13H23F3N2O2
SMILES
CC(C)(C)OC(=O)N1CCCCC1CC(C(F)(F)F)N
InChI
InChI=1S/C13H23F3N2O2/c1-12(2,3)20-11(19)18-7-5-4-6-9(18)8-10(17)13(14,15)16/h9-10H,4-8,17H2,1-3H3
InChIKey
AXMNQFIIFHCJMM-UHFFFAOYSA-N
Compound name
tert-butyl 2-(2-amino-3,3,3-trifluoropropyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.17117 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.17845 168.9
[M+Na]+ 319.16039 172.6
[M-H]- 295.16389 165.6
[M+NH4]+ 314.20499 182.3
[M+K]+ 335.13433 171.1
[M+H-H2O]+ 279.16843 160.1
[M+HCOO]- 341.16937 179.2
[M+CH3COO]- 355.18502 203.8
[M+Na-2H]- 317.14584 168.3
[M]+ 296.17062 161.0
[M]- 296.17172 161.0
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.