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]+ 231.112806 151.7
[M+Na]+ 253.094748 161.1
[M-H]- 229.098254 152.6
[M+NH4]+ 248.139353 167.8
[M+K]+ 269.068688 157.2
[M+H-H2O]+ 213.102790 144.2
[M+HCOO]- 275.103731 170.2
[M+CH3COO]- 289.119381 191.2
[M+Na-2H]- 251.080196 157.2
[M]+ 230.10498142 153.6
[M]- 230.10607858 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.