CID 84048936

1706752-65-9

Structural Information

Molecular Formula
C6H6BrNO2
SMILES
CN1C=C(C=C(C1=O)O)Br
InChI
InChI=1S/C6H6BrNO2/c1-8-3-4(7)2-5(9)6(8)10/h2-3,9H,1H3
InChIKey
IALZHEPWQWPQTM-UHFFFAOYSA-N
Compound name
5-bromo-3-hydroxy-1-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

202.95819 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.96547 128.0
[M+Na]+ 225.94741 142.1
[M-H]- 201.95091 132.8
[M+NH4]+ 220.99201 149.5
[M+K]+ 241.92135 131.3
[M+H-H2O]+ 185.95545 128.5
[M+HCOO]- 247.95639 148.9
[M+CH3COO]- 261.97204 179.7
[M+Na-2H]- 223.93286 136.4
[M]+ 202.95764 147.3
[M]- 202.95874 147.3
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