CID 53244427

Piperazine derivative 5

Structural Information

Molecular Formula
C14H25N3O3
SMILES
CC(=O)CC(=O)N1CCN(CC1)C(=O)CCCCCN
InChI
InChI=1S/C14H25N3O3/c1-12(18)11-14(20)17-9-7-16(8-10-17)13(19)5-3-2-4-6-15/h2-11,15H2,1H3
InChIKey
ISBLYNHHDOKBBQ-UHFFFAOYSA-N
Compound name
1-[4-(6-aminohexanoyl)piperazin-1-yl]butane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1896 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.19688 169.5
[M+Na]+ 306.17882 175.6
[M+NH4]+ 301.22342 173.3
[M+K]+ 322.15276 172.1
[M-H]- 282.18232 167.5
[M+Na-2H]- 304.16427 169.5
[M]+ 283.18905 169.0
[M]- 283.19015 169.0
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

No patent data available for this compound.