CID 104112045

2253639-31-3

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₃

SMILES

CCOC(=O)C1=COC(=N1)N2CCNCC2

InChI

InChI=1S/C10H15N3O3/c1-2-15-9(14)8-7-16-10(12-8)13-5-3-11-4-6-13/h7,11H,2-6H2,1H3

InChIKey

SCPALDLPFNAJDM-UHFFFAOYSA-N

Compound name

ethyl 2-piperazin-1-yl-1,3-oxazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 225.11134 Da
Monoisotopic Mass: 0.7
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]+	226.11862	150.4
[M+Na]+	248.10056	155.9
[M-H]-	224.10406	151.6
[M+NH4]+	243.14516	163.6
[M+K]+	264.07450	155.0
[M+H-H2O]+	208.10860	141.5
[M+HCOO]-	270.10954	165.9
[M+CH3COO]-	284.12519	183.4
[M+Na-2H]-	246.08601	153.0
[M]+	225.11079	148.0
[M]-	225.11189	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe