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 134.5
[M+Na]+ 202.04746 142.9
[M-H]- 178.05096 135.6
[M+NH4]+ 197.09206 152.4
[M+K]+ 218.02140 140.2
[M+H-H2O]+ 162.05550 128.2
[M+HCOO]- 224.05644 156.5
[M+CH3COO]- 238.07209 176.8
[M+Na-2H]- 200.03291 140.4
[M]+ 179.05769 135.0
[M]- 179.05879 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.