CID 82745

10586-98-8

Structural Information

Molecular Formula

C₁₂H₂₈N₄

SMILES

CN(C)CCN1CCN(CC1)CCN(C)C

InChI

InChI=1S/C12H28N4/c1-13(2)5-7-15-9-11-16(12-10-15)8-6-14(3)4/h5-12H2,1-4H3

InChIKey

RUPSPYXFXWDVBV-UHFFFAOYSA-N

Compound name

2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 142
Patents: 228.2314 Da
Monoisotopic Mass: 0.2
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]+	229.238676	159.5
[M+Na]+	251.220618	162.1
[M-H]-	227.224124	161.6
[M+NH4]+	246.265223	175.6
[M+K]+	267.194558	162.6
[M+H-H2O]+	211.228660	150.4
[M+HCOO]-	273.229601	179.1
[M+CH3COO]-	287.245251	204.7
[M+Na-2H]-	249.206066	161.6
[M]+	228.23085142	158.7
[M]-	228.23194858	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe