CID 87204

2,3,6-trimethylquinoxaline

Structural Information

Molecular Formula
C11H12N2
SMILES
CC1=CC2=NC(=C(N=C2C=C1)C)C
InChI
InChI=1S/C11H12N2/c1-7-4-5-10-11(6-7)13-9(3)8(2)12-10/h4-6H,1-3H3
InChIKey
GQRWKGBOBWHKHP-UHFFFAOYSA-N
Compound name
2,3,6-trimethylquinoxaline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

283
Patents

172.10005 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 136.3
[M+Na]+ 195.08927 147.3
[M-H]- 171.09277 138.9
[M+NH4]+ 190.13387 155.9
[M+K]+ 211.06321 143.8
[M+H-H2O]+ 155.09731 129.2
[M+HCOO]- 217.09825 157.5
[M+CH3COO]- 231.11390 150.3
[M+Na-2H]- 193.07472 144.7
[M]+ 172.09950 137.9
[M]- 172.10060 137.9
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