CID 43470453

2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid

Structural Information

Molecular Formula
C11H12N2O3
SMILES
CCC1C(=O)NC2=C(N1)C=CC(=C2)C(=O)O
InChI
InChI=1S/C11H12N2O3/c1-2-7-10(14)13-9-5-6(11(15)16)3-4-8(9)12-7/h3-5,7,12H,2H2,1H3,(H,13,14)(H,15,16)
InChIKey
RSQRDVPENVGBIX-UHFFFAOYSA-N
Compound name
2-ethyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0848 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.092076 148.4
[M+Na]+ 243.074018 156.0
[M-H]- 219.077524 146.2
[M+NH4]+ 238.118623 163.2
[M+K]+ 259.047958 151.2
[M+H-H2O]+ 203.082060 141.8
[M+HCOO]- 265.083001 162.1
[M+CH3COO]- 279.098651 182.5
[M+Na-2H]- 241.059466 152.1
[M]+ 220.08425142 143.9
[M]- 220.08534858 143.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.