CID 419369

89727-93-5

Structural Information

Molecular Formula

C₆H₁₃BrN₂

SMILES

C1CN(CCN1)CCBr

InChI

InChI=1S/C6H13BrN2/c7-1-4-9-5-2-8-3-6-9/h8H,1-6H2

InChIKey

YSSAGHGQQLCGFI-UHFFFAOYSA-N

Compound name

1-(2-bromoethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 192.02621 Da
Monoisotopic Mass: 0.4
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]+	193.03349	135.7
[M+Na]+	215.01543	144.3
[M-H]-	191.01893	137.1
[M+NH4]+	210.06003	155.3
[M+K]+	230.98937	133.6
[M+H-H2O]+	175.02347	135.2
[M+HCOO]-	237.02441	150.8
[M+CH3COO]-	251.04006	177.1
[M+Na-2H]-	213.00088	143.1
[M]+	192.02566	148.4
[M]-	192.02676	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe