CID 165990869

Tert-butyl 4-(2-bromoethyl)-3-oxopiperazine-1-carboxylate

Structural Information

Molecular Formula
C11H19BrN2O3
SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)C1)CCBr
InChI
InChI=1S/C11H19BrN2O3/c1-11(2,3)17-10(16)14-7-6-13(5-4-12)9(15)8-14/h4-8H2,1-3H3
InChIKey
GEKJDWGBWRZYPS-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-bromoethyl)-3-oxopiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.05792 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.06520 162.0
[M+Na]+ 329.04714 171.4
[M-H]- 305.05064 165.1
[M+NH4]+ 324.09174 178.5
[M+K]+ 345.02108 161.4
[M+H-H2O]+ 289.05518 161.2
[M+HCOO]- 351.05612 175.5
[M+CH3COO]- 365.07177 199.1
[M+Na-2H]- 327.03259 165.8
[M]+ 306.05737 180.4
[M]- 306.05847 180.4
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

No patent data available for this compound.