CID 68747721

Tert-butyl 3-(4-bromophenyl)-3-hydroxypyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C15H20BrNO3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C2=CC=C(C=C2)Br)O
InChI
InChI=1S/C15H20BrNO3/c1-14(2,3)20-13(18)17-9-8-15(19,10-17)11-4-6-12(16)7-5-11/h4-7,19H,8-10H2,1-3H3
InChIKey
DFOLGWASERYSEH-UHFFFAOYSA-N
Compound name
tert-butyl 3-(4-bromophenyl)-3-hydroxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

341.06265 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.06993 174.8
[M+Na]+ 364.05187 175.2
[M+NH4]+ 359.09647 178.9
[M+K]+ 380.02581 176.5
[M-H]- 340.05537 174.1
[M+Na-2H]- 362.03732 176.9
[M]+ 341.06210 173.5
[M]- 341.06320 173.5
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

patents stripe