CID 15946441

655225-01-7

Structural Information

Molecular Formula

C₁₁H₂₁BrN₂O₂

SMILES

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

InChI

InChI=1S/C11H21BrN2O2/c1-11(2,3)16-10(15)14-8-6-13(5-4-12)7-9-14/h4-9H2,1-3H3

InChIKey

IWSFZKCIZFXAFT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 343
Patents: 292.07864 Da
Monoisotopic Mass: 1.7
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]+	293.08592	162.1
[M+Na]+	315.06786	170.5
[M-H]-	291.07136	164.8
[M+NH4]+	310.11246	179.1
[M+K]+	331.04180	160.6
[M+H-H2O]+	275.07590	161.2
[M+HCOO]-	337.07684	175.2
[M+CH3COO]-	351.09249	196.8
[M+Na-2H]-	313.05331	166.3
[M]+	292.07809	179.5
[M]-	292.07919	179.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe