CID 118798691

3-bromo-7,8-dihydro-5h-pyrano[4,3-b]pyridin-8-ol

Structural Information

Molecular Formula
C8H8BrNO2
SMILES
C1C(C2=C(CO1)C=C(C=N2)Br)O
InChI
InChI=1S/C8H8BrNO2/c9-6-1-5-3-12-4-7(11)8(5)10-2-6/h1-2,7,11H,3-4H2
InChIKey
ASKZTCPOHSSXIZ-UHFFFAOYSA-N
Compound name
3-bromo-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.97385 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.98113 139.4
[M+Na]+ 251.96307 150.9
[M-H]- 227.96657 144.6
[M+NH4]+ 247.00767 159.1
[M+K]+ 267.93701 141.3
[M+H-H2O]+ 211.97111 139.5
[M+HCOO]- 273.97205 155.8
[M+CH3COO]- 287.98770 154.0
[M+Na-2H]- 249.94852 149.0
[M]+ 228.97330 156.6
[M]- 228.97440 156.6
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

No patent data available for this compound.