CID 201027

Piperazine, 1-(2-propylvaleryl)-

Structural Information

Molecular Formula

C₁₂H₂₄N₂O

SMILES

CCCC(CCC)C(=O)N1CCNCC1

InChI

InChI=1S/C12H24N2O/c1-3-5-11(6-4-2)12(15)14-9-7-13-8-10-14/h11,13H,3-10H2,1-2H3

InChIKey

CQBMAYFECNZWON-UHFFFAOYSA-N

Compound name

1-piperazin-1-yl-2-propylpentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 212.18886 Da
Monoisotopic Mass: 1.9
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]+	213.196136	155.5
[M+Na]+	235.178078	158.0
[M-H]-	211.181584	153.1
[M+NH4]+	230.222683	170.4
[M+K]+	251.152018	155.8
[M+H-H2O]+	195.186120	147.7
[M+HCOO]-	257.187061	169.0
[M+CH3COO]-	271.202711	186.4
[M+Na-2H]-	233.163526	156.1
[M]+	212.18831142	150.7
[M]-	212.18940858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe