CID 72212385

5h,7h,8h-pyrano[4,3-b]pyridine-3-carbaldehyde

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1COCC2=C1N=CC(=C2)C=O
InChI
InChI=1S/C9H9NO2/c11-5-7-3-8-6-12-2-1-9(8)10-4-7/h3-5H,1-2,6H2
InChIKey
JEVQGNFCAOMBCV-UHFFFAOYSA-N
Compound name
7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

163.06332 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 130.2
[M+Na]+ 186.05254 138.3
[M-H]- 162.05604 133.8
[M+NH4]+ 181.09714 149.3
[M+K]+ 202.02648 137.4
[M+H-H2O]+ 146.06058 123.6
[M+HCOO]- 208.06152 150.3
[M+CH3COO]- 222.07717 176.4
[M+Na-2H]- 184.03799 139.9
[M]+ 163.06277 129.7
[M]- 163.06387 129.7
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