CID 72212385

1196155-95-9

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

6
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 131.6
[M+Na]+ 186.05254 145.5
[M+NH4]+ 181.09714 140.8
[M+K]+ 202.02648 138.9
[M-H]- 162.05604 135.2
[M+Na-2H]- 184.03799 138.0
[M]+ 163.06277 134.6
[M]- 163.06387 134.6
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