CID 146049419

2411309-46-9

Structural Information

Molecular Formula
C8H8BrNO2
SMILES
C1COCC2=CNC(=O)C(=C21)Br
InChI
InChI=1S/C8H8BrNO2/c9-7-6-1-2-12-4-5(6)3-10-8(7)11/h3H,1-2,4H2,(H,10,11)
InChIKey
DGJJXDHVZJBDSN-UHFFFAOYSA-N
Compound name
5-bromo-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.97385 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.98113 138.3
[M+Na]+ 251.96307 150.0
[M-H]- 227.96657 143.5
[M+NH4]+ 247.00767 158.0
[M+K]+ 267.93701 139.9
[M+H-H2O]+ 211.97111 138.5
[M+HCOO]- 273.97205 154.9
[M+CH3COO]- 287.98770 153.0
[M+Na-2H]- 249.94852 147.9
[M]+ 228.97330 154.8
[M]- 228.97440 154.8
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.