CID 650402

Piperazin-1-yl-acetic acid

Structural Information

Molecular Formula

C₆H₁₂N₂O₂

SMILES

C1CN(CCN1)CC(=O)O

InChI

InChI=1S/C6H12N2O2/c9-6(10)5-8-3-1-7-2-4-8/h7H,1-5H2,(H,9,10)

InChIKey

WRJZKSHNBALIGH-UHFFFAOYSA-N

Compound name

2-piperazin-1-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1337
Patents: 144.08987 Da
Monoisotopic Mass: -3.1
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]+	145.09715	131.7
[M+Na]+	167.07909	140.6
[M+NH4]+	162.12369	138.2
[M+K]+	183.05303	136.6
[M-H]-	143.08259	130.3
[M+Na-2H]-	165.06454	134.8
[M]+	144.08932	132.0
[M]-	144.09042	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe