CID 70629

2-(piperazin-1-yl)propan-1-ol dihydrochloride

Structural Information

Molecular Formula

C₇H₁₆N₂O

SMILES

CC(CO)N1CCNCC1

InChI

InChI=1S/C7H16N2O/c1-7(6-10)9-4-2-8-3-5-9/h7-8,10H,2-6H2,1H3

InChIKey

STSAIUCZKQGPNG-UHFFFAOYSA-N

Compound name

2-piperazin-1-ylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 331
Patents: 144.12627 Da
Monoisotopic Mass: -0.6
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]+	145.13355	133.8
[M+Na]+	167.11549	142.9
[M+NH4]+	162.16009	141.0
[M+K]+	183.08943	138.2
[M-H]-	143.11899	133.1
[M+Na-2H]-	165.10094	137.2
[M]+	144.12572	134.5
[M]-	144.12682	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe