CID 582701

Ethyl 2-quinoxalinecarboxylate

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C11H10N2O2/c1-2-15-11(14)10-7-12-8-5-3-4-6-9(8)13-10/h3-7H,2H2,1H3

InChIKey

HZMKSGSOBKQGJX-UHFFFAOYSA-N

Compound name

ethyl quinoxaline-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 202.07423 Da
Monoisotopic Mass: 2.3
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]+	203.08151	142.1
[M+Na]+	225.06345	151.0
[M-H]-	201.06695	144.0
[M+NH4]+	220.10805	159.5
[M+K]+	241.03739	148.4
[M+H-H2O]+	185.07149	134.2
[M+HCOO]-	247.07243	162.9
[M+CH3COO]-	261.08808	184.7
[M+Na-2H]-	223.04890	150.7
[M]+	202.07368	144.3
[M]-	202.07478	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe