CID 16740704

886767-61-9

Structural Information

Molecular Formula
C15H21BrN2O2
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C15H21BrN2O2/c1-15(2,3)20-14(19)18-8-7-17-13(10-18)11-5-4-6-12(16)9-11/h4-6,9,13,17H,7-8,10H2,1-3H3
InChIKey
GBSJUGQKOBCQRZ-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-bromophenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

340.07864 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.08592 174.0
[M+Na]+ 363.06786 181.9
[M-H]- 339.07136 178.4
[M+NH4]+ 358.11246 188.1
[M+K]+ 379.04180 170.2
[M+H-H2O]+ 323.07590 172.4
[M+HCOO]- 385.07684 185.6
[M+CH3COO]- 399.09249 202.7
[M+Na-2H]- 361.05331 177.3
[M]+ 340.07809 188.8
[M]- 340.07919 188.8
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