CID 248749

2,3,6,7-tetramethylquinoxaline

Structural Information

Molecular Formula
C12H14N2
SMILES
CC1=CC2=NC(=C(N=C2C=C1C)C)C
InChI
InChI=1S/C12H14N2/c1-7-5-11-12(6-8(7)2)14-10(4)9(3)13-11/h5-6H,1-4H3
InChIKey
MRHHHYZFDDQAQL-UHFFFAOYSA-N
Compound name
2,3,6,7-tetramethylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

186.11569 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.122966 140.8
[M+Na]+ 209.104908 152.4
[M-H]- 185.108414 143.7
[M+NH4]+ 204.149513 160.2
[M+K]+ 225.078848 148.6
[M+H-H2O]+ 169.112950 133.8
[M+HCOO]- 231.113891 161.7
[M+CH3COO]- 245.129541 187.7
[M+Na-2H]- 207.090356 147.9
[M]+ 186.11514142 143.2
[M]- 186.11623858 143.2
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