CID 4715305

(3-oxo-1-piperazinyl)acetic acid

Structural Information

Molecular Formula

C₆H₁₀N₂O₃

SMILES

C1CN(CC(=O)N1)CC(=O)O

InChI

InChI=1S/C6H10N2O3/c9-5-3-8(2-1-7-5)4-6(10)11/h1-4H2,(H,7,9)(H,10,11)

InChIKey

FDDVFMDIVCWGKS-UHFFFAOYSA-N

Compound name

2-(3-oxopiperazin-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 158.06914 Da
Monoisotopic Mass: -3.3
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]+	159.07642	133.1
[M+Na]+	181.05836	138.9
[M-H]-	157.06186	130.6
[M+NH4]+	176.10296	149.5
[M+K]+	197.03230	137.2
[M+H-H2O]+	141.06640	126.5
[M+HCOO]-	203.06734	148.6
[M+CH3COO]-	217.08299	170.0
[M+Na-2H]-	179.04381	136.9
[M]+	158.06859	127.5
[M]-	158.06969	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe