CID 84048936

5-bromo-3-hydroxy-1-methyl-1,2-dihydropyridin-2-one

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

36
Patents

202.95819 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.965466 128.0
[M+Na]+ 225.947408 142.1
[M-H]- 201.950914 132.8
[M+NH4]+ 220.992013 149.5
[M+K]+ 241.921348 131.3
[M+H-H2O]+ 185.955450 128.5
[M+HCOO]- 247.956391 148.9
[M+CH3COO]- 261.972041 179.7
[M+Na-2H]- 223.932856 136.4
[M]+ 202.95764142 147.3
[M]- 202.95873858 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