CID 763958

Quinoxaline-6-carbaldehyde

Structural Information

Molecular Formula
C9H6N2O
SMILES
C1=CC2=NC=CN=C2C=C1C=O
InChI
InChI=1S/C9H6N2O/c12-6-7-1-2-8-9(5-7)11-4-3-10-8/h1-6H
InChIKey
UGOIXUFOAODGNI-UHFFFAOYSA-N
Compound name
quinoxaline-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

525
Patents

158.04802 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.05530 130.1
[M+Na]+ 181.03724 145.6
[M+NH4]+ 176.08184 139.2
[M+K]+ 197.01118 138.0
[M-H]- 157.04074 132.3
[M+Na-2H]- 179.02269 138.8
[M]+ 158.04747 133.0
[M]- 158.04857 133.0
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