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 170.5
[M+Na]+ 306.17882 172.9
[M-H]- 282.18232 169.2
[M+NH4]+ 301.22342 182.6
[M+K]+ 322.15276 171.1
[M+H-H2O]+ 266.18686 162.0
[M+HCOO]- 328.18780 185.1
[M+CH3COO]- 342.20345 203.2
[M+Na-2H]- 304.16427 168.3
[M]+ 283.18905 167.8
[M]- 283.19015 167.8
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.