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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	227.211786	158.8
[M+Na]+	249.193728	162.2
[M-H]-	225.197234	158.1
[M+NH4]+	244.238333	174.2
[M+K]+	265.167668	160.7
[M+H-H2O]+	209.201770	150.9
[M+HCOO]-	271.202711	173.4
[M+CH3COO]-	285.218361	193.2
[M+Na-2H]-	247.179176	158.7
[M]+	226.20396142	156.7
[M]-	226.20505858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe