CID 772501

2,3-diethylquinoxaline-6-carboxylic acid

Structural Information

Molecular Formula
C13H14N2O2
SMILES
CCC1=NC2=C(C=C(C=C2)C(=O)O)N=C1CC
InChI
InChI=1S/C13H14N2O2/c1-3-9-10(4-2)15-12-7-8(13(16)17)5-6-11(12)14-9/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKey
PPDTZYUTKIMTJM-UHFFFAOYSA-N
Compound name
2,3-diethylquinoxaline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

230.10553 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 151.8
[M+Na]+ 253.09475 165.9
[M+NH4]+ 248.13935 159.2
[M+K]+ 269.06869 159.4
[M-H]- 229.09825 152.8
[M+Na-2H]- 251.08020 157.5
[M]+ 230.10498 154.0
[M]- 230.10608 154.0
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

No patent data available for this compound.