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]+ 221.09208 148.4
[M+Na]+ 243.07402 156.0
[M-H]- 219.07752 146.2
[M+NH4]+ 238.11862 163.2
[M+K]+ 259.04796 151.2
[M+H-H2O]+ 203.08206 141.8
[M+HCOO]- 265.08300 162.1
[M+CH3COO]- 279.09865 182.5
[M+Na-2H]- 241.05947 152.1
[M]+ 220.08425 143.9
[M]- 220.08535 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.