CID 165935229

Tert-butyl 3-[(4-bromophenyl)methyl]pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C16H22BrNO2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)CC2=CC=C(C=C2)Br
InChI
InChI=1S/C16H22BrNO2/c1-16(2,3)20-15(19)18-9-8-13(11-18)10-12-4-6-14(17)7-5-12/h4-7,13H,8-11H2,1-3H3
InChIKey
OGDNBQKSDVOUIH-UHFFFAOYSA-N
Compound name
tert-butyl 3-[(4-bromophenyl)methyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

339.0834 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.09068 175.5
[M+Na]+ 362.07262 176.7
[M+NH4]+ 357.11722 179.0
[M+K]+ 378.04656 178.3
[M-H]- 338.07612 175.7
[M+Na-2H]- 360.05807 177.0
[M]+ 339.08285 174.4
[M]- 339.08395 174.4
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