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

11
Patents

310.26202 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.26930 182.8
[M+Na]+ 333.25124 184.3
[M-H]- 309.25474 181.1
[M+NH4]+ 328.29584 194.6
[M+K]+ 349.22518 181.4
[M+H-H2O]+ 293.25928 173.8
[M+HCOO]- 355.26022 196.2
[M+CH3COO]- 369.27587 208.6
[M+Na-2H]- 331.23669 180.1
[M]+ 310.26147 183.1
[M]- 310.26257 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