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]+ 341.08592 176.4
[M+Na]+ 363.06786 185.7
[M-H]- 339.07136 183.7
[M+NH4]+ 358.11246 194.0
[M+K]+ 379.04180 174.4
[M+H-H2O]+ 323.07590 175.0
[M+HCOO]- 385.07684 193.1
[M+CH3COO]- 399.09249 207.2
[M+Na-2H]- 361.05331 177.3
[M]+ 340.07809 193.1
[M]- 340.07919 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.