CID 49761548

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

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1CC2=C(N=CC(=C2)C=O)OC1
InChI
InChI=1S/C9H9NO2/c11-6-7-4-8-2-1-3-12-9(8)10-5-7/h4-6H,1-3H2
InChIKey
ZDVRMVOZAHNHOK-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

163.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.070596 130.2
[M+Na]+ 186.052538 138.3
[M-H]- 162.056044 133.8
[M+NH4]+ 181.097143 149.3
[M+K]+ 202.026478 137.4
[M+H-H2O]+ 146.060580 123.6
[M+HCOO]- 208.061521 150.3
[M+CH3COO]- 222.077171 176.4
[M+Na-2H]- 184.037986 139.9
[M]+ 163.06277142 129.7
[M]- 163.06386858 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