CID 26384

3-methylquinoxalin-2-ol

Structural Information

Molecular Formula
C9H8N2O
SMILES
CC1=NC2=CC=CC=C2NC1=O
InChI
InChI=1S/C9H8N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-5H,1H3,(H,11,12)
InChIKey
BMIMNRPAEPIYDN-UHFFFAOYSA-N
Compound name
3-methyl-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

327
Patents

160.06366 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 130.3
[M+Na]+ 183.05288 141.0
[M-H]- 159.05638 131.5
[M+NH4]+ 178.09748 149.3
[M+K]+ 199.02682 136.9
[M+H-H2O]+ 143.06092 123.5
[M+HCOO]- 205.06186 151.1
[M+CH3COO]- 219.07751 144.0
[M+Na-2H]- 181.03833 140.0
[M]+ 160.06311 129.7
[M]- 160.06421 129.7
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