CID 4777782

222297-44-1

Structural Information

Molecular Formula

C₈H₁₈N₂O

SMILES

C1CN(CCN1)CCCCO

InChI

InChI=1S/C8H18N2O/c11-8-2-1-5-10-6-3-9-4-7-10/h9,11H,1-8H2

InChIKey

RTZVLCNTVAXFMJ-UHFFFAOYSA-N

Compound name

4-piperazin-1-ylbutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 254
Patents: 158.1419 Da
Monoisotopic Mass: -0.4
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]+	159.14918	138.1
[M+Na]+	181.13112	147.4
[M+NH4]+	176.17572	145.3
[M+K]+	197.10506	141.7
[M-H]-	157.13462	137.6
[M+Na-2H]-	179.11657	141.7
[M]+	158.14135	138.9
[M]-	158.14245	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe