CID 165691176

Rac-tert-butyl n-[(1r,5s,6s)-6-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-1-yl]carbamate hydrochloride

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 167.5
[M+Na]+ 303.12908 171.9
[M-H]- 279.13258 165.1
[M+NH4]+ 298.17368 179.5
[M+K]+ 319.10302 172.4
[M+H-H2O]+ 263.13712 156.1
[M+HCOO]- 325.13806 178.3
[M+CH3COO]- 339.15371 199.7
[M+Na-2H]- 301.11453 170.0
[M]+ 280.13931 169.9
[M]- 280.14041 169.9
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.