CID 833228

4-oxo-4-piperazin-1-yl-butyric acid

Structural Information

Molecular Formula

C₈H₁₄N₂O₃

SMILES

C1CN(CCN1)C(=O)CCC(=O)O

InChI

InChI=1S/C8H14N2O3/c11-7(1-2-8(12)13)10-5-3-9-4-6-10/h9H,1-6H2,(H,12,13)

InChIKey

XBPFUNIGMQMISX-UHFFFAOYSA-N

Compound name

4-oxo-4-piperazin-1-ylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 63
Patents: 186.10045 Da
Monoisotopic Mass: -3.8
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]+	187.10773	142.5
[M+Na]+	209.08967	150.2
[M+NH4]+	204.13427	147.7
[M+K]+	225.06361	147.1
[M-H]-	185.09317	140.0
[M+Na-2H]-	207.07512	144.2
[M]+	186.09990	142.2
[M]-	186.10100	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe