CID 91820229

6-hydroxy-3-succinylsemialdehyde-pyridine

Structural Information

Molecular Formula
C9H9NO3
SMILES
C1=CC(=O)NC=C1C(=O)CCC=O
InChI
InChI=1S/C9H9NO3/c11-5-1-2-8(12)7-3-4-9(13)10-6-7/h3-6H,1-2H2,(H,10,13)
InChIKey
CLDKMYXGLSOTMG-UHFFFAOYSA-N
Compound name
4-oxo-4-(6-oxo-1H-pyridin-3-yl)butanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

179.05824 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 136.5
[M+Na]+ 202.04746 148.5
[M+NH4]+ 197.09206 142.9
[M+K]+ 218.02140 143.2
[M-H]- 178.05096 136.1
[M+Na-2H]- 200.03291 141.9
[M]+ 179.05769 137.8
[M]- 179.05879 137.8
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

No patent data available for this compound.