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

7
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 163.9
[M+Na]+ 277.18865 166.9
[M-H]- 253.19215 163.4
[M+NH4]+ 272.23325 178.1
[M+K]+ 293.16259 166.0
[M+H-H2O]+ 237.19669 156.3
[M+HCOO]- 299.19763 176.8
[M+CH3COO]- 313.21328 198.5
[M+Na-2H]- 275.17410 161.2
[M]+ 254.19888 161.7
[M]- 254.19998 161.7
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