CID 61658827

1248899-71-9

Structural Information

Molecular Formula
C9H9NO4
SMILES
C1COCC2=C1NC(=O)C(=C2)C(=O)O
InChI
InChI=1S/C9H9NO4/c11-8-6(9(12)13)3-5-4-14-2-1-7(5)10-8/h3H,1-2,4H2,(H,10,11)(H,12,13)
InChIKey
VCDJVXYQSIFMIH-UHFFFAOYSA-N
Compound name
2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

195.05316 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 138.1
[M+Na]+ 218.04238 149.8
[M+NH4]+ 213.08698 144.9
[M+K]+ 234.01632 145.9
[M-H]- 194.04588 139.1
[M+Na-2H]- 216.02783 141.5
[M]+ 195.05261 139.7
[M]- 195.05371 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe