CID 3727805

154640-54-7

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃

SMILES

CCOC(=O)CN1C2=CC=CC=C2N=CC1=O

InChI

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

InChIKey

NFWMSGZOFCQKCT-UHFFFAOYSA-N

Compound name

ethyl 2-(2-oxoquinoxalin-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 7
Patents: 232.0848 Da
Monoisotopic Mass: 1.1
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]+	233.09208	149.5
[M+Na]+	255.07402	163.4
[M+NH4]+	250.11862	156.4
[M+K]+	271.04796	157.2
[M-H]-	231.07752	150.1
[M+Na-2H]-	253.05947	155.7
[M]+	232.08425	151.5
[M]-	232.08535	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe