CID 255283

58110-73-9

Structural Information

Molecular Formula

C₉H₂₁N₃O

SMILES

C1CN(CCN1CCCN)CCO

InChI

InChI=1S/C9H21N3O/c10-2-1-3-11-4-6-12(7-5-11)8-9-13/h13H,1-10H2

InChIKey

BQQVEASFNMRTBA-UHFFFAOYSA-N

Compound name

2-[4-(3-aminopropyl)piperazin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 715
Patents: 187.16846 Da
Monoisotopic Mass: -1.5
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]+	188.17574	146.3
[M+Na]+	210.15768	150.3
[M-H]-	186.16118	144.1
[M+NH4]+	205.20228	162.1
[M+K]+	226.13162	148.0
[M+H-H2O]+	170.16572	138.6
[M+HCOO]-	232.16666	163.0
[M+CH3COO]-	246.18231	182.6
[M+Na-2H]-	208.14313	149.6
[M]+	187.16791	141.1
[M]-	187.16901	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe