CID 205872

Piperazine, 1,4-diheptanoyl-

Structural Information

Molecular Formula
C18H34N2O2
SMILES
CCCCCCC(=O)N1CCN(CC1)C(=O)CCCCCC
InChI
InChI=1S/C18H34N2O2/c1-3-5-7-9-11-17(21)19-13-15-20(16-14-19)18(22)12-10-8-6-4-2/h3-16H2,1-2H3
InChIKey
FEFHVXVBNCGEEX-UHFFFAOYSA-N
Compound name
1-(4-heptanoylpiperazin-1-yl)heptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

310.26202 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.269296 182.8
[M+Na]+ 333.251238 184.3
[M-H]- 309.254744 181.1
[M+NH4]+ 328.295843 194.6
[M+K]+ 349.225178 181.4
[M+H-H2O]+ 293.259280 173.8
[M+HCOO]- 355.260221 196.2
[M+CH3COO]- 369.275871 208.6
[M+Na-2H]- 331.236686 180.1
[M]+ 310.26147142 183.1
[M]- 310.26256858 183.1
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