CID 424322

1-butylpiperazine

Structural Information

Molecular Formula

C₈H₁₈N₂

SMILES

CCCCN1CCNCC1

InChI

InChI=1S/C8H18N2/c1-2-3-6-10-7-4-9-5-8-10/h9H,2-8H2,1H3

InChIKey

YKSVXVKIYYQWBB-UHFFFAOYSA-N

Compound name

1-butylpiperazine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 2612
Patents: 142.147 Da
Monoisotopic Mass: 0.9
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]+	143.154276	135.2
[M+Na]+	165.136218	139.5
[M-H]-	141.139724	133.3
[M+NH4]+	160.180823	153.1
[M+K]+	181.110158	137.6
[M+H-H2O]+	125.144260	128.0
[M+HCOO]-	187.145201	151.6
[M+CH3COO]-	201.160851	172.2
[M+Na-2H]-	163.121666	140.4
[M]+	142.14645142	129.6
[M]-	142.14754858	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe