CID 138991011

Tert-butyl (2s,4s)-2-(aminomethyl)-4-(trifluoromethyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H19F3N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1CN)C(F)(F)F
InChI
InChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-6-7(11(12,13)14)4-8(16)5-15/h7-8H,4-6,15H2,1-3H3/t7-,8-/m0/s1
InChIKey
CAZDCDPHBWRBQU-YUMQZZPRSA-N
Compound name
tert-butyl (2S,4S)-2-(aminomethyl)-4-(trifluoromethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 164.7
[M+Na]+ 291.12908 168.3
[M+NH4]+ 286.17368 167.8
[M+K]+ 307.10302 167.7
[M-H]- 267.13258 158.7
[M+Na-2H]- 289.11453 163.5
[M]+ 268.13931 162.8
[M]- 268.14041 162.8
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

No patent data available for this compound.