CID 2804829

2,3-diethylquinoxaline

Structural Information

Molecular Formula
C12H14N2
SMILES
CCC1=NC2=CC=CC=C2N=C1CC
InChI
InChI=1S/C12H14N2/c1-3-9-10(4-2)14-12-8-6-5-7-11(12)13-9/h5-8H,3-4H2,1-2H3
InChIKey
HPPAQDIWWPYTAM-UHFFFAOYSA-N
Compound name
2,3-diethylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

46
Patents

186.11569 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 141.1
[M+Na]+ 209.10491 150.7
[M-H]- 185.10841 143.1
[M+NH4]+ 204.14951 159.8
[M+K]+ 225.07885 146.9
[M+H-H2O]+ 169.11295 133.4
[M+HCOO]- 231.11389 161.9
[M+CH3COO]- 245.12954 185.4
[M+Na-2H]- 207.09036 149.6
[M]+ 186.11514 142.6
[M]- 186.11624 142.6
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