CID 8795

Aminoethylpiperazine

Structural Information

Molecular Formula

C₆H₁₅N₃

SMILES

C1CN(CCN1)CCN

InChI

InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2

InChIKey

IMUDHTPIFIBORV-UHFFFAOYSA-N

Compound name

2-piperazin-1-ylethanamine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 40
References: 51753
Patents: 129.1266 Da
Monoisotopic Mass: -1.3
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]+	130.133876	130.1
[M+Na]+	152.115818	134.4
[M-H]-	128.119324	128.0
[M+NH4]+	147.160423	147.9
[M+K]+	168.089758	132.4
[M+H-H2O]+	112.123860	122.9
[M+HCOO]-	174.124801	147.5
[M+CH3COO]-	188.140451	170.2
[M+Na-2H]-	150.101266	135.6
[M]+	129.12605142	122.0
[M]-	129.12714858	122.0

Literature stripe

literature stripe

Patent stripe

patents stripe