CID 236268

2,3-dimethylquinoxaline-6-carboxylic acid

Structural Information

Molecular Formula
C11H10N2O2
SMILES
CC1=C(N=C2C=C(C=CC2=N1)C(=O)O)C
InChI
InChI=1S/C11H10N2O2/c1-6-7(2)13-10-5-8(11(14)15)3-4-9(10)12-6/h3-5H,1-2H3,(H,14,15)
InChIKey
RCACNAWRFYUKLC-UHFFFAOYSA-N
Compound name
2,3-dimethylquinoxaline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

41
Patents

202.07423 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 142.3
[M+Na]+ 225.063448 152.7
[M-H]- 201.066954 143.7
[M+NH4]+ 220.108053 159.7
[M+K]+ 241.037388 149.2
[M+H-H2O]+ 185.071490 135.3
[M+HCOO]- 247.072431 161.6
[M+CH3COO]- 261.088081 185.2
[M+Na-2H]- 223.048896 149.0
[M]+ 202.07368142 143.6
[M]- 202.07477858 143.6
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

patents stripe