CID 165691176

2763584-44-5

Structural Information

Molecular Formula
C12H19F3N2O2
SMILES
CC(C)(C)OC(=O)N[C@]12C[C@@H]([C@H]1CNC2)C(F)(F)F
InChI
InChI=1S/C12H19F3N2O2/c1-10(2,3)19-9(18)17-11-4-7(12(13,14)15)8(11)5-16-6-11/h7-8,16H,4-6H2,1-3H3,(H,17,18)/t7-,8+,11-/m0/s1
InChIKey
UFGBIBKFAZLCRD-RNSXUZJQSA-N
Compound name
tert-butyl N-[(1R,5S,6S)-6-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-1-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13986 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14714 173.2
[M+Na]+ 303.12908 172.4
[M+NH4]+ 298.17368 174.3
[M+K]+ 319.10302 171.2
[M-H]- 279.13258 164.5
[M+Na-2H]- 301.11453 170.1
[M]+ 280.13931 169.1
[M]- 280.14041 169.1
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.