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 159.8
[M+Na]+ 291.12908 166.3
[M-H]- 267.13258 157.5
[M+NH4]+ 286.17368 176.6
[M+K]+ 307.10302 164.7
[M+H-H2O]+ 251.13712 151.9
[M+HCOO]- 313.13806 173.9
[M+CH3COO]- 327.15371 197.7
[M+Na-2H]- 289.11453 159.7
[M]+ 268.13931 154.3
[M]- 268.14041 154.3
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.