CID 4368921

439106-63-5

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃

SMILES

CCOC(=O)COC1=NC2=CC=CC=C2N=C1

InChI

InChI=1S/C12H12N2O3/c1-2-16-12(15)8-17-11-7-13-9-5-3-4-6-10(9)14-11/h3-7H,2,8H2,1H3

InChIKey

YPFVSBHRQLJLBC-UHFFFAOYSA-N

Compound name

ethyl 2-quinoxalin-2-yloxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 5
Patents: 232.0848 Da
Monoisotopic Mass: 2.6
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]+	233.092076	149.7
[M+Na]+	255.074018	158.0
[M-H]-	231.077524	151.4
[M+NH4]+	250.118623	165.8
[M+K]+	271.047958	155.7
[M+H-H2O]+	215.082060	141.3
[M+HCOO]-	277.083001	170.3
[M+CH3COO]-	291.098651	189.7
[M+Na-2H]-	253.059466	157.8
[M]+	232.08425142	153.7
[M]-	232.08534858	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe