CID 205871

Piperazine, 1,4-dihexanoyl-

Structural Information

Molecular Formula
C16H30N2O2
SMILES
CCCCCC(=O)N1CCN(CC1)C(=O)CCCCC
InChI
InChI=1S/C16H30N2O2/c1-3-5-7-9-15(19)17-11-13-18(14-12-17)16(20)10-8-6-4-2/h3-14H2,1-2H3
InChIKey
FDZTWQOEIFKHDA-UHFFFAOYSA-N
Compound name
1-(4-hexanoylpiperazin-1-yl)hexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

282.23074 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.23802 173.9
[M+Na]+ 305.21996 176.3
[M-H]- 281.22346 172.6
[M+NH4]+ 300.26456 186.9
[M+K]+ 321.19390 173.9
[M+H-H2O]+ 265.22800 165.3
[M+HCOO]- 327.22894 188.0
[M+CH3COO]- 341.24459 202.6
[M+Na-2H]- 303.20541 172.3
[M]+ 282.23019 173.5
[M]- 282.23129 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe