CID 83826317

1547108-50-8

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1C2=C(CO1)N=CC(=C2)C=O
InChI
InChI=1S/C8H7NO2/c10-3-6-1-7-4-11-5-8(7)9-2-6/h1-3H,4-5H2
InChIKey
OPSMWOWDTOPGQO-UHFFFAOYSA-N
Compound name
5,7-dihydrofuro[3,4-b]pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.04768 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 125.8
[M+Na]+ 172.03690 135.4
[M-H]- 148.04040 129.9
[M+NH4]+ 167.08150 147.4
[M+K]+ 188.01084 134.6
[M+H-H2O]+ 132.04494 120.1
[M+HCOO]- 194.04588 148.5
[M+CH3COO]- 208.06153 172.9
[M+Na-2H]- 170.02235 134.4
[M]+ 149.04713 127.2
[M]- 149.04823 127.2
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.