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

20
Patents

226.16812 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.175396 155.9
[M+Na]+ 249.157338 160.1
[M-H]- 225.160844 155.5
[M+NH4]+ 244.201943 171.3
[M+K]+ 265.131278 158.7
[M+H-H2O]+ 209.165380 148.2
[M+HCOO]- 271.166321 171.4
[M+CH3COO]- 285.181971 190.7
[M+Na-2H]- 247.142786 156.5
[M]+ 226.16757142 154.1
[M]- 226.16866858 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe