CID 62639800

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

Structural Information

Molecular Formula
C11H12N2O3
SMILES
CC1C(=O)NC2=C(N1C)C=CC(=C2)C(=O)O
InChI
InChI=1S/C11H12N2O3/c1-6-10(14)12-8-5-7(11(15)16)3-4-9(8)13(6)2/h3-6H,1-2H3,(H,12,14)(H,15,16)
InChIKey
VKXLCBOIMMOFDA-UHFFFAOYSA-N
Compound name
1,2-dimethyl-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

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 147.6
[M+Na]+ 243.07402 156.6
[M-H]- 219.07752 147.2
[M+NH4]+ 238.11862 163.5
[M+K]+ 259.04796 152.7
[M+H-H2O]+ 203.08206 141.0
[M+HCOO]- 265.08300 162.8
[M+CH3COO]- 279.09865 186.1
[M+Na-2H]- 241.05947 151.1
[M]+ 220.08425 145.4
[M]- 220.08535 145.4
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.