CID 2737112

1-pentylpiperazine

Structural Information

Molecular Formula

C₉H₂₀N₂

SMILES

CCCCCN1CCNCC1

InChI

InChI=1S/C9H20N2/c1-2-3-4-7-11-8-5-10-6-9-11/h10H,2-9H2,1H3

InChIKey

MJWWNBHUIIRNDZ-UHFFFAOYSA-N

Compound name

1-pentylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4509
Patents: 156.16264 Da
Monoisotopic Mass: 1.4
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]+	157.169916	139.7
[M+Na]+	179.151858	143.5
[M-H]-	155.155364	137.6
[M+NH4]+	174.196463	157.0
[M+K]+	195.125798	141.3
[M+H-H2O]+	139.159900	132.3
[M+HCOO]-	201.160841	155.7
[M+CH3COO]-	215.176491	175.2
[M+Na-2H]-	177.137306	144.3
[M]+	156.16209142	134.4
[M]-	156.16318858	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe