CID 61670

5-methylquinoxaline

Structural Information

Molecular Formula
C9H8N2
SMILES
CC1=C2C(=CC=C1)N=CC=N2
InChI
InChI=1S/C9H8N2/c1-7-3-2-4-8-9(7)11-6-5-10-8/h2-6H,1H3
InChIKey
CQLOYHZZZCWHSG-UHFFFAOYSA-N
Compound name
5-methylquinoxaline
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

1603
Patents

144.06874 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.076016 127.0
[M+Na]+ 167.057958 137.0
[M-H]- 143.061464 129.1
[M+NH4]+ 162.102563 147.1
[M+K]+ 183.031898 133.9
[M+H-H2O]+ 127.066000 119.7
[M+HCOO]- 189.066941 148.9
[M+CH3COO]- 203.082591 141.1
[M+Na-2H]- 165.043406 138.0
[M]+ 144.06819142 127.1
[M]- 144.06928858 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