CID 10882380

327030-39-7

Structural Information

Molecular Formula
C15H21BrN2O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C15H21BrN2O2/c1-15(2,3)20-14(19)18-9-7-17(8-10-18)13-6-4-5-12(16)11-13/h4-6,11H,7-10H2,1-3H3
InChIKey
DVJZPRQEOHFPQO-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-bromophenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

222
Patents

340.07864 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.085916 173.1
[M+Na]+ 363.067858 181.5
[M-H]- 339.071364 178.9
[M+NH4]+ 358.112463 188.0
[M+K]+ 379.041798 170.8
[M+H-H2O]+ 323.075900 171.3
[M+HCOO]- 385.076841 186.2
[M+CH3COO]- 399.092491 205.1
[M+Na-2H]- 361.053306 177.0
[M]+ 340.07809142 189.7
[M]- 340.07918858 189.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe