CID 138108587

Tert-butyl 4-amino-2-(trifluoromethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C11H19F3N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1C(F)(F)F)N
InChI
InChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-5-4-7(15)6-8(16)11(12,13)14/h7-8H,4-6,15H2,1-3H3
InChIKey
ZERXRKSZKSSAJU-UHFFFAOYSA-N
Compound name
tert-butyl 4-amino-2-(trifluoromethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.13986 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14714 160.2
[M+Na]+ 291.12908 166.0
[M-H]- 267.13258 157.6
[M+NH4]+ 286.17368 175.2
[M+K]+ 307.10302 164.4
[M+H-H2O]+ 251.13712 151.9
[M+HCOO]- 313.13806 172.2
[M+CH3COO]- 327.15371 198.2
[M+Na-2H]- 289.11453 161.1
[M]+ 268.13931 152.7
[M]- 268.14041 152.7
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.