CID 242567

6-methylquinoxaline

Structural Information

Molecular Formula
C9H8N2
SMILES
CC1=CC2=NC=CN=C2C=C1
InChI
InChI=1S/C9H8N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-6H,1H3
InChIKey
OSRARURJYPOUOV-UHFFFAOYSA-N
Compound name
6-methylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1797
Patents

144.06874 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.07602 127.0
[M+Na]+ 167.05796 137.0
[M-H]- 143.06146 129.1
[M+NH4]+ 162.10256 147.1
[M+K]+ 183.03190 133.9
[M+H-H2O]+ 127.06600 119.7
[M+HCOO]- 189.06694 148.9
[M+CH3COO]- 203.08259 141.1
[M+Na-2H]- 165.04341 138.0
[M]+ 144.06819 127.1
[M]- 144.06929 127.1
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