CID 211192

Piperazine, 1-methyl-4-(2-propylvaleryl)-

Structural Information

Molecular Formula
C13H26N2O
SMILES
CCCC(CCC)C(=O)N1CCN(CC1)C
InChI
InChI=1S/C13H26N2O/c1-4-6-12(7-5-2)13(16)15-10-8-14(3)9-11-15/h12H,4-11H2,1-3H3
InChIKey
IBFBDYUBCKIREM-UHFFFAOYSA-N
Compound name
1-(4-methylpiperazin-1-yl)-2-propylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

226.20451 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.21179 158.8
[M+Na]+ 249.19373 162.2
[M-H]- 225.19723 158.1
[M+NH4]+ 244.23833 174.2
[M+K]+ 265.16767 160.7
[M+H-H2O]+ 209.20177 150.9
[M+HCOO]- 271.20271 173.4
[M+CH3COO]- 285.21836 193.2
[M+Na-2H]- 247.17918 158.7
[M]+ 226.20396 156.7
[M]- 226.20506 156.7
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