CID 54594006

Ethyl 2-oxo-2-(piperazin-1-yl)acetate hydrochloride

Structural Information

Molecular Formula

C₈H₁₄N₂O₃

SMILES

CCOC(=O)C(=O)N1CCNCC1

InChI

InChI=1S/C8H14N2O3/c1-2-13-8(12)7(11)10-5-3-9-4-6-10/h9H,2-6H2,1H3

InChIKey

GRCMHZASUBOSKM-UHFFFAOYSA-N

Compound name

ethyl 2-oxo-2-piperazin-1-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 186.10045 Da
Monoisotopic Mass: -0.3
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]+	187.10773	142.2
[M+Na]+	209.08967	146.7
[M-H]-	185.09317	140.6
[M+NH4]+	204.13427	158.1
[M+K]+	225.06361	145.9
[M+H-H2O]+	169.09771	134.9
[M+HCOO]-	231.09865	157.7
[M+CH3COO]-	245.11430	176.3
[M+Na-2H]-	207.07512	145.0
[M]+	186.09990	138.0
[M]-	186.10100	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe