CID 589024

Ethyl 3-methylquinoxaline-2-carboxylate

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CCOC(=O)C1=NC2=CC=CC=C2N=C1C
InChI
InChI=1S/C12H12N2O2/c1-3-16-12(15)11-8(2)13-9-6-4-5-7-10(9)14-11/h4-7H,3H2,1-2H3
InChIKey
IRZHLIWGVQPMHU-UHFFFAOYSA-N
Compound name
ethyl 3-methylquinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

40
Patents

216.08987 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 146.7
[M+Na]+ 239.079088 156.2
[M-H]- 215.082594 148.9
[M+NH4]+ 234.123693 163.9
[M+K]+ 255.053028 153.3
[M+H-H2O]+ 199.087130 138.8
[M+HCOO]- 261.088071 167.2
[M+CH3COO]- 275.103721 188.8
[M+Na-2H]- 237.064536 154.0
[M]+ 216.08932142 149.7
[M]- 216.09041858 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe