CID 2781239

Methyl quinoxaline-6-carboxylate

Structural Information

Molecular Formula
C10H8N2O2
SMILES
COC(=O)C1=CC2=NC=CN=C2C=C1
InChI
InChI=1S/C10H8N2O2/c1-14-10(13)7-2-3-8-9(6-7)12-5-4-11-8/h2-6H,1H3
InChIKey
VFPWJISMXACHIG-UHFFFAOYSA-N
Compound name
methyl quinoxaline-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

117
Patents

188.05858 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06586 137.9
[M+Na]+ 211.04780 152.4
[M+NH4]+ 206.09240 146.1
[M+K]+ 227.02174 145.9
[M-H]- 187.05130 139.4
[M+Na-2H]- 209.03325 145.5
[M]+ 188.05803 140.3
[M]- 188.05913 140.3
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