CID 22218523

4-(4-ethylpiperazin-1-yl)butan-1-ol

Structural Information

Molecular Formula

C₁₀H₂₂N₂O

SMILES

CCN1CCN(CC1)CCCCO

InChI

InChI=1S/C10H22N2O/c1-2-11-6-8-12(9-7-11)5-3-4-10-13/h13H,2-10H2,1H3

InChIKey

QNINQNAGDRKECY-UHFFFAOYSA-N

Compound name

4-(4-ethylpiperazin-1-yl)butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 186.17322 Da
Monoisotopic Mass: 0.5
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]+	187.18050	146.3
[M+Na]+	209.16244	156.1
[M+NH4]+	204.20704	153.5
[M+K]+	225.13638	149.8
[M-H]-	185.16594	146.3
[M+Na-2H]-	207.14789	149.7
[M]+	186.17267	147.4
[M]-	186.17377	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe