CID 338913

92446-30-5

Structural Information

Molecular Formula
C7H9NO4
SMILES
CN1C(=O)CC(=C(C1=O)O)OC
InChI
InChI=1S/C7H9NO4/c1-8-5(9)3-4(12-2)6(10)7(8)11/h10H,3H2,1-2H3
InChIKey
JFMQRHZXDOZVMO-UHFFFAOYSA-N
Compound name
5-hydroxy-4-methoxy-1-methyl-3H-pyridine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

171.05316 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.060436 130.6
[M+Na]+ 194.042378 140.5
[M-H]- 170.045884 132.4
[M+NH4]+ 189.086983 149.7
[M+K]+ 210.016318 139.5
[M+H-H2O]+ 154.050420 125.2
[M+HCOO]- 216.051361 151.4
[M+CH3COO]- 230.067011 177.3
[M+Na-2H]- 192.027826 134.9
[M]+ 171.05261142 131.6
[M]- 171.05370858 131.6
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.