CID 132371497

2307747-56-2

Structural Information

Molecular Formula
C12H19F3N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@]2(C[C@]2(C1)C(F)(F)F)CN
InChI
InChI=1S/C12H19F3N2O2/c1-9(2,3)19-8(18)17-6-10(5-16)4-11(10,7-17)12(13,14)15/h4-7,16H2,1-3H3/t10-,11+/m0/s1
InChIKey
MWAGAHJGQJBCDH-WDEREUQCSA-N
Compound name
tert-butyl (1S,5S)-1-(aminomethyl)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13986 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14714 159.7
[M+Na]+ 303.12908 169.1
[M-H]- 279.13258 159.4
[M+NH4]+ 298.17368 175.9
[M+K]+ 319.10302 166.6
[M+H-H2O]+ 263.13712 154.5
[M+HCOO]- 325.13806 172.7
[M+CH3COO]- 339.15371 201.2
[M+Na-2H]- 301.11453 164.6
[M]+ 280.13931 159.4
[M]- 280.14041 159.4
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.