CID 50989461

6-iodo-3,4-dihydro-2h-pyrano[3,2-b]pyridine-8-carbaldehyde

Structural Information

Molecular Formula
C9H8INO2
SMILES
C1CC2=C(C(=CC(=N2)I)C=O)OC1
InChI
InChI=1S/C9H8INO2/c10-8-4-6(5-12)9-7(11-8)2-1-3-13-9/h4-5H,1-3H2
InChIKey
LXUCYTODVKMHCI-UHFFFAOYSA-N
Compound name
6-iodo-3,4-dihydro-2H-pyrano[3,2-b]pyridine-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.96 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.96728 139.9
[M+Na]+ 311.94922 141.5
[M-H]- 287.95272 136.5
[M+NH4]+ 306.99382 153.5
[M+K]+ 327.92316 146.1
[M+H-H2O]+ 271.95726 129.7
[M+HCOO]- 333.95820 154.8
[M+CH3COO]- 347.97385 188.9
[M+Na-2H]- 309.93467 136.6
[M]+ 288.95945 137.3
[M]- 288.96055 137.3
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

No patent data available for this compound.