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: 87
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]+	159.112806	136.7
[M+Na]+	181.094748	141.0
[M-H]-	157.098254	133.7
[M+NH4]+	176.139353	153.0
[M+K]+	197.068688	139.1
[M+H-H2O]+	141.102790	129.7
[M+HCOO]-	203.103731	151.5
[M+CH3COO]-	217.119381	169.9
[M+Na-2H]-	179.080196	140.6
[M]+	158.10498142	130.2
[M]-	158.10607858	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe