CID 15829155

112257-12-2

Structural Information

Molecular Formula

C₁₁H₁₉BrN₂O₃

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CBr

InChI

InChI=1S/C11H19BrN2O3/c1-11(2,3)17-10(16)14-6-4-13(5-7-14)9(15)8-12/h4-8H2,1-3H3

InChIKey

LFJTTZCBJLCUIV-UHFFFAOYSA-N

Compound name

tert-butyl 4-(2-bromoacetyl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 230
Patents: 306.05792 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	307.06520	162.5
[M+Na]+	329.04714	170.8
[M-H]-	305.05064	165.4
[M+NH4]+	324.09174	178.7
[M+K]+	345.02108	161.3
[M+H-H2O]+	289.05518	161.6
[M+HCOO]-	351.05612	175.1
[M+CH3COO]-	365.07177	198.1
[M+Na-2H]-	327.03259	165.9
[M]+	306.05737	179.9
[M]-	306.05847	179.9

Literature stripe

literature stripe

Patent stripe

patents stripe