CID 125453443

Rac-tert-butyl (2r,3r)-3-amino-2-(3-bromophenyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C15H21BrN2O2
SMILES
CC(C)(C)OC(=O)N1CC[C@H]([C@H]1C2=CC(=CC=C2)Br)N
InChI
InChI=1S/C15H21BrN2O2/c1-15(2,3)20-14(19)18-8-7-12(17)13(18)10-5-4-6-11(16)9-10/h4-6,9,12-13H,7-8,17H2,1-3H3/t12-,13-/m1/s1
InChIKey
WFAZICBXBANFPD-CHWSQXEVSA-N
Compound name
tert-butyl (2R,3R)-3-amino-2-(3-bromophenyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.07864 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.085916 176.4
[M+Na]+ 363.067858 185.7
[M-H]- 339.071364 183.7
[M+NH4]+ 358.112463 194.0
[M+K]+ 379.041798 174.4
[M+H-H2O]+ 323.075900 175.0
[M+HCOO]- 385.076841 193.1
[M+CH3COO]- 399.092491 207.2
[M+Na-2H]- 361.053306 177.3
[M]+ 340.07809142 193.1
[M]- 340.07918858 193.1
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.