CID 205898

Piperazine, 1,4-diisovaleryl-

Structural Information

Molecular Formula
C14H26N2O2
SMILES
CC(C)CC(=O)N1CCN(CC1)C(=O)CC(C)C
InChI
InChI=1S/C14H26N2O2/c1-11(2)9-13(17)15-5-7-16(8-6-15)14(18)10-12(3)4/h11-12H,5-10H2,1-4H3
InChIKey
KBFKBGMWNZRILJ-UHFFFAOYSA-N
Compound name
3-methyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

254.19943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.20671 163.7
[M+Na]+ 277.18865 171.6
[M+NH4]+ 272.23325 169.0
[M+K]+ 293.16259 167.7
[M-H]- 253.19215 162.3
[M+Na-2H]- 275.17410 164.7
[M]+ 254.19888 163.9
[M]- 254.19998 163.9
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