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 151.7
[M+Na]+ 253.09475 161.1
[M-H]- 229.09825 152.6
[M+NH4]+ 248.13935 167.8
[M+K]+ 269.06869 157.2
[M+H-H2O]+ 213.10279 144.2
[M+HCOO]- 275.10373 170.2
[M+CH3COO]- 289.11938 191.2
[M+Na-2H]- 251.08020 157.2
[M]+ 230.10498 153.6
[M]- 230.10608 153.6
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.