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 140.6
[M+Na]+ 223.04780 149.7
[M-H]- 199.05130 142.5
[M+NH4]+ 218.09240 157.9
[M+K]+ 239.02174 146.5
[M+H-H2O]+ 183.05584 132.7
[M+HCOO]- 245.05678 161.6
[M+CH3COO]- 259.07243 184.5
[M+Na-2H]- 221.03325 149.2
[M]+ 200.05803 142.2
[M]- 200.05913 142.2
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