CID 45079688

2,3-dihydrofuro[3,2-b]pyridine-6-carbaldehyde

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1COC2=C1N=CC(=C2)C=O
InChI
InChI=1S/C8H7NO2/c10-5-6-3-8-7(9-4-6)1-2-11-8/h3-5H,1-2H2
InChIKey
GTSRCIBXYZDCGU-UHFFFAOYSA-N
Compound name
2,3-dihydrofuro[3,2-b]pyridine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

149.04768 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.054956 125.8
[M+Na]+ 172.036898 135.4
[M-H]- 148.040404 129.9
[M+NH4]+ 167.081503 147.4
[M+K]+ 188.010838 134.6
[M+H-H2O]+ 132.044940 120.1
[M+HCOO]- 194.045881 148.5
[M+CH3COO]- 208.061531 172.9
[M+Na-2H]- 170.022346 134.4
[M]+ 149.04713142 127.2
[M]- 149.04822858 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

patents stripe