CID 205276

Piperazine, 1,4-dibutyryl-

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CCCC(=O)N1CCN(CC1)C(=O)CCC

InChI

InChI=1S/C12H22N2O2/c1-3-5-11(15)13-7-9-14(10-8-13)12(16)6-4-2/h3-10H2,1-2H3

InChIKey

XPPVSJUVIPOXNN-UHFFFAOYSA-N

Compound name

1-(4-butanoylpiperazin-1-yl)butan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 226.16812 Da
Monoisotopic Mass: 0.6
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]+	227.17540	155.9
[M+Na]+	249.15734	160.1
[M-H]-	225.16084	155.5
[M+NH4]+	244.20194	171.3
[M+K]+	265.13128	158.7
[M+H-H2O]+	209.16538	148.2
[M+HCOO]-	271.16632	171.4
[M+CH3COO]-	285.18197	190.7
[M+Na-2H]-	247.14279	156.5
[M]+	226.16757	154.1
[M]-	226.16867	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe