CID 579061

6-hydroxy-3-succinoylpyridine

Structural Information

Molecular Formula
C9H9NO4
SMILES
C1=CC(=O)NC=C1C(=O)CCC(=O)O
InChI
InChI=1S/C9H9NO4/c11-7(2-4-9(13)14)6-1-3-8(12)10-5-6/h1,3,5H,2,4H2,(H,10,12)(H,13,14)
InChIKey
OMAJIMAYOJBLJF-UHFFFAOYSA-N
Compound name
4-oxo-4-(6-oxo-1H-pyridin-3-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

5
Patents

195.05316 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 139.9
[M+Na]+ 218.04238 150.4
[M+NH4]+ 213.08698 145.2
[M+K]+ 234.01632 146.9
[M-H]- 194.04588 138.2
[M+Na-2H]- 216.02783 143.8
[M]+ 195.05261 140.4
[M]- 195.05371 140.4
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

patents stripe