CID 21054728

1211582-61-4

Structural Information

Molecular Formula
C11H19F3N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C(F)(F)F)N
InChI
InChI=1S/C11H19F3N2O2/c1-9(2,3)18-8(17)16-6-4-10(15,5-7-16)11(12,13)14/h4-7,15H2,1-3H3
InChIKey
NYPUFDUCDMKIGM-UHFFFAOYSA-N
Compound name
tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

268.13986 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14714 159.4
[M+Na]+ 291.12908 165.2
[M-H]- 267.13258 156.7
[M+NH4]+ 286.17368 176.1
[M+K]+ 307.10302 164.0
[M+H-H2O]+ 251.13712 151.9
[M+HCOO]- 313.13806 171.4
[M+CH3COO]- 327.15371 196.5
[M+Na-2H]- 289.11453 162.4
[M]+ 268.13931 151.8
[M]- 268.14041 151.8
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