CID 2737098

1-nonylpiperazine

Structural Information

Molecular Formula

C₁₃H₂₈N₂

SMILES

CCCCCCCCCN1CCNCC1

InChI

InChI=1S/C13H28N2/c1-2-3-4-5-6-7-8-11-15-12-9-14-10-13-15/h14H,2-13H2,1H3

InChIKey

JXSIBFCQEWUEDI-UHFFFAOYSA-N

Compound name

1-nonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 32
Patents: 212.22525 Da
Monoisotopic Mass: 3.6
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]+	213.232526	157.3
[M+Na]+	235.214468	159.4
[M-H]-	211.217974	154.4
[M+NH4]+	230.259073	172.3
[M+K]+	251.188408	156.1
[M+H-H2O]+	195.222510	149.0
[M+HCOO]-	257.223451	171.9
[M+CH3COO]-	271.239101	187.3
[M+Na-2H]-	233.199916	159.7
[M]+	212.22470142	153.4
[M]-	212.22579858	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe