CID 18915355

884535-10-8

Structural Information

Molecular Formula

C₇H₁₄N₂O₂

SMILES

C1CN(CCN1)C(=O)CCO

InChI

InChI=1S/C7H14N2O2/c10-6-1-7(11)9-4-2-8-3-5-9/h8,10H,1-6H2

InChIKey

HGSDPPKIASRECG-UHFFFAOYSA-N

Compound name

3-hydroxy-1-piperazin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 158.10553 Da
Monoisotopic Mass: -1.7
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]+	159.11281	136.2
[M+Na]+	181.09475	145.0
[M+NH4]+	176.13935	142.6
[M+K]+	197.06869	140.7
[M-H]-	157.09825	134.8
[M+Na-2H]-	179.08020	139.1
[M]+	158.10498	136.5
[M]-	158.10608	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe