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
3
Annotation Hits

18
References

8
Patents

195.05316 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.060436 138.1
[M+Na]+ 218.042378 145.7
[M-H]- 194.045884 137.9
[M+NH4]+ 213.086983 154.5
[M+K]+ 234.016318 143.2
[M+H-H2O]+ 178.050420 131.9
[M+HCOO]- 240.051361 157.8
[M+CH3COO]- 254.067011 177.4
[M+Na-2H]- 216.027826 142.3
[M]+ 195.05261142 137.5
[M]- 195.05370858 137.5
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