CID 11105814

1-(quinoxalin-2-yl)ethan-1-one

Structural Information

Molecular Formula
C10H8N2O
SMILES
CC(=O)C1=NC2=CC=CC=C2N=C1
InChI
InChI=1S/C10H8N2O/c1-7(13)10-6-11-8-4-2-3-5-9(8)12-10/h2-6H,1H3
InChIKey
SWGILLQQUULMJB-UHFFFAOYSA-N
Compound name
1-quinoxalin-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

172.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07094 134.0
[M+Na]+ 195.05288 143.4
[M-H]- 171.05638 136.1
[M+NH4]+ 190.09748 152.7
[M+K]+ 211.02682 140.5
[M+H-H2O]+ 155.06092 126.5
[M+HCOO]- 217.06186 154.9
[M+CH3COO]- 231.07751 180.3
[M+Na-2H]- 193.03833 143.2
[M]+ 172.06311 134.5
[M]- 172.06421 134.5
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