CID 50990319

2-oxo-1h,2h,5h,7h,8h-pyrano[4,3-b]pyridine-3-carbonitrile

Structural Information

Molecular Formula
C9H8N2O2
SMILES
C1COCC2=C1NC(=O)C(=C2)C#N
InChI
InChI=1S/C9H8N2O2/c10-4-6-3-7-5-13-2-1-8(7)11-9(6)12/h3H,1-2,5H2,(H,11,12)
InChIKey
ANUXNMLPHPOUMD-UHFFFAOYSA-N
Compound name
2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

176.05858 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 133.8
[M+Na]+ 199.04780 144.6
[M-H]- 175.05130 135.5
[M+NH4]+ 194.09240 149.9
[M+K]+ 215.02174 140.7
[M+H-H2O]+ 159.05584 120.9
[M+HCOO]- 221.05678 149.1
[M+CH3COO]- 235.07243 145.3
[M+Na-2H]- 197.03325 141.6
[M]+ 176.05803 126.9
[M]- 176.05913 126.9
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