CID 3806555

2-(2-quinoxalinyl)malondialdehyde

Structural Information

Molecular Formula
C11H8N2O2
SMILES
C1=CC=C2C(=C1)N=CC(=N2)C(C=O)C=O
InChI
InChI=1S/C11H8N2O2/c14-6-8(7-15)11-5-12-9-3-1-2-4-10(9)13-11/h1-8H
InChIKey
TWFAHKDFMOBRJS-UHFFFAOYSA-N
Compound name
2-quinoxalin-2-ylpropanedial
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

200.05858 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06586 141.4
[M+Na]+ 223.04780 155.7
[M+NH4]+ 218.09240 149.2
[M+K]+ 239.02174 149.0
[M-H]- 199.05130 142.6
[M+Na-2H]- 221.03325 148.6
[M]+ 200.05803 143.7
[M]- 200.05913 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe