CID 24700258

1-(but-3-yn-1-yl)piperazine dihydrochloride

Structural Information

Molecular Formula

C₈H₁₄N₂

SMILES

C#CCCN1CCNCC1

InChI

InChI=1S/C8H14N2/c1-2-3-6-10-7-4-9-5-8-10/h1,9H,3-8H2

InChIKey

ZWKWOOLQWOHHSL-UHFFFAOYSA-N

Compound name

1-but-3-ynylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 138.11569 Da
Monoisotopic Mass: 0.2
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]+	139.122966	128.0
[M+Na]+	161.104908	134.9
[M-H]-	137.108414	125.1
[M+NH4]+	156.149513	143.8
[M+K]+	177.078848	131.3
[M+H-H2O]+	121.112950	114.9
[M+HCOO]-	183.113891	139.3
[M+CH3COO]-	197.129541	179.8
[M+Na-2H]-	159.090356	132.7
[M]+	138.11514142	117.0
[M]-	138.11623858	117.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe