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]+ 269.147136 159.8
[M+Na]+ 291.129078 166.3
[M-H]- 267.132584 157.5
[M+NH4]+ 286.173683 176.6
[M+K]+ 307.103018 164.7
[M+H-H2O]+ 251.137120 151.9
[M+HCOO]- 313.138061 173.9
[M+CH3COO]- 327.153711 197.7
[M+Na-2H]- 289.114526 159.7
[M]+ 268.13931142 154.3
[M]- 268.14040858 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.