CID 2736513

1-hexylpiperazine

Structural Information

Molecular Formula

C₁₀H₂₂N₂

SMILES

CCCCCCN1CCNCC1

InChI

InChI=1S/C10H22N2/c1-2-3-4-5-8-12-9-6-11-7-10-12/h11H,2-10H2,1H3

InChIKey

WRFUXAYDZDQDKY-UHFFFAOYSA-N

Compound name

1-hexylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 476
Patents: 170.1783 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]+	171.185576	144.1
[M+Na]+	193.167518	147.5
[M-H]-	169.171024	141.8
[M+NH4]+	188.212123	160.9
[M+K]+	209.141458	145.0
[M+H-H2O]+	153.175560	136.5
[M+HCOO]-	215.176501	159.8
[M+CH3COO]-	229.192151	178.2
[M+Na-2H]-	191.152966	148.2
[M]+	170.17775142	139.2
[M]-	170.17884858	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe