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]+ 180.065516 134.5
[M+Na]+ 202.047458 142.9
[M-H]- 178.050964 135.6
[M+NH4]+ 197.092063 152.4
[M+K]+ 218.021398 140.2
[M+H-H2O]+ 162.055500 128.2
[M+HCOO]- 224.056441 156.5
[M+CH3COO]- 238.072091 176.8
[M+Na-2H]- 200.032906 140.4
[M]+ 179.05769142 135.0
[M]- 179.05878858 135.0
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

No patent data available for this compound.