CID 7138432

2-[4-(4-aminobutyl)piperazin-1-yl]ethan-1-ol

Structural Information

Molecular Formula

C₁₀H₂₃N₃O

SMILES

C1CN(CCN1CCCCN)CCO

InChI

InChI=1S/C10H23N3O/c11-3-1-2-4-12-5-7-13(8-6-12)9-10-14/h14H,1-11H2

InChIKey

TUKFFSGMQJSJQQ-UHFFFAOYSA-N

Compound name

2-[4-(4-aminobutyl)piperazin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 201.18411 Da
Monoisotopic Mass: -0.8
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]+	202.19139	149.4
[M+Na]+	224.17333	157.6
[M+NH4]+	219.21793	155.9
[M+K]+	240.14727	152.0
[M-H]-	200.17683	149.5
[M+Na-2H]-	222.15878	152.1
[M]+	201.18356	150.1
[M]-	201.18466	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe