CID 615452

Ethyl 3-methyl-2-(quinoxalin-2-yl)acetate

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂

SMILES

CCOC(=O)CC1=NC2=CC=CC=C2N=C1C

InChI

InChI=1S/C13H14N2O2/c1-3-17-13(16)8-12-9(2)14-10-6-4-5-7-11(10)15-12/h4-7H,3,8H2,1-2H3

InChIKey

ZTJBBLDJQXJLCI-UHFFFAOYSA-N

Compound name

ethyl 2-(3-methylquinoxalin-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 230.10553 Da
Monoisotopic Mass: 1.8
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]+	231.112806	151.4
[M+Na]+	253.094748	160.4
[M-H]-	229.098254	153.3
[M+NH4]+	248.139353	168.0
[M+K]+	269.068688	157.3
[M+H-H2O]+	213.102790	143.3
[M+HCOO]-	275.103731	171.5
[M+CH3COO]-	289.119381	191.8
[M+Na-2H]-	251.080196	158.2
[M]+	230.10498142	154.7
[M]-	230.10607858	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe