CID 2737113

1-(2-pentyl)piperazine

Structural Information

Molecular Formula

C₉H₂₀N₂

SMILES

CCCC(C)N1CCNCC1

InChI

InChI=1S/C9H20N2/c1-3-4-9(2)11-7-5-10-6-8-11/h9-10H,3-8H2,1-2H3

InChIKey

QTPGFCVQPIPHFA-UHFFFAOYSA-N

Compound name

1-pentan-2-ylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 156.16264 Da
Monoisotopic Mass: 1.3
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]+	157.16992	140.0
[M+Na]+	179.15186	143.7
[M-H]-	155.15536	138.1
[M+NH4]+	174.19646	157.3
[M+K]+	195.12580	141.9
[M+H-H2O]+	139.15990	132.8
[M+HCOO]-	201.16084	155.0
[M+CH3COO]-	215.17649	176.0
[M+Na-2H]-	177.13731	143.4
[M]+	156.16209	134.1
[M]-	156.16319	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe