CID 6484678

74003-63-7

Structural Information

Molecular Formula
C10H8N2O2
SMILES
CC1=NC2=CC=CC=C2N=C1C(=O)O
InChI
InChI=1S/C10H8N2O2/c1-6-9(10(13)14)12-8-5-3-2-4-7(8)11-6/h2-5H,1H3,(H,13,14)
InChIKey
BJPNADFNSANIPF-UHFFFAOYSA-N
Compound name
3-methylquinoxaline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

154
Patents

188.05858 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06586 137.7
[M+Na]+ 211.04780 147.6
[M-H]- 187.05130 138.8
[M+NH4]+ 206.09240 155.3
[M+K]+ 227.02174 144.3
[M+H-H2O]+ 171.05584 130.6
[M+HCOO]- 233.05678 157.3
[M+CH3COO]- 247.07243 180.9
[M+Na-2H]- 209.03325 145.7
[M]+ 188.05803 138.3
[M]- 188.05913 138.3
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