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]+ 255.206706 163.9
[M+Na]+ 277.188648 166.9
[M-H]- 253.192154 163.4
[M+NH4]+ 272.233253 178.1
[M+K]+ 293.162588 166.0
[M+H-H2O]+ 237.196690 156.3
[M+HCOO]- 299.197631 176.8
[M+CH3COO]- 313.213281 198.5
[M+Na-2H]- 275.174096 161.2
[M]+ 254.19888142 161.7
[M]- 254.19997858 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