CID 53007664

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

Structural Information

Molecular Formula
C11H12N2O3
SMILES
CCN1CC(=O)NC2=C1C=CC(=C2)C(=O)O
InChI
InChI=1S/C11H12N2O3/c1-2-13-6-10(14)12-8-5-7(11(15)16)3-4-9(8)13/h3-5H,2,6H2,1H3,(H,12,14)(H,15,16)
InChIKey
CCICAFZRSLIFAL-UHFFFAOYSA-N
Compound name
1-ethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0848 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 148.2
[M+Na]+ 243.07402 159.8
[M+NH4]+ 238.11862 154.5
[M+K]+ 259.04796 155.0
[M-H]- 219.07752 147.6
[M+Na-2H]- 241.05947 151.4
[M]+ 220.08425 149.3
[M]- 220.08535 149.3
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.