CID 165929185

Tert-butyl n-[1-(2-bromophenyl)pyrrolidin-3-yl]carbamate

Structural Information

Molecular Formula
C15H21BrN2O2
SMILES
CC(C)(C)OC(=O)NC1CCN(C1)C2=CC=CC=C2Br
InChI
InChI=1S/C15H21BrN2O2/c1-15(2,3)20-14(19)17-11-8-9-18(10-11)13-7-5-4-6-12(13)16/h4-7,11H,8-10H2,1-3H3,(H,17,19)
InChIKey
YSTHYUXVZLVXDX-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(2-bromophenyl)pyrrolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.07864 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.085916 175.9
[M+Na]+ 363.067858 184.3
[M-H]- 339.071364 183.3
[M+NH4]+ 358.112463 193.4
[M+K]+ 379.041798 173.4
[M+H-H2O]+ 323.075900 174.3
[M+HCOO]- 385.076841 193.2
[M+CH3COO]- 399.092491 206.7
[M+Na-2H]- 361.053306 178.5
[M]+ 340.07809142 193.2
[M]- 340.07918858 193.2
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.