CID 12511611

5-bromo-3-methoxy-2-methylpyridin-4-ol

Structural Information

Molecular Formula
C7H8BrNO2
SMILES
CC1=C(C(=O)C(=CN1)Br)OC
InChI
InChI=1S/C7H8BrNO2/c1-4-7(11-2)6(10)5(8)3-9-4/h3H,1-2H3,(H,9,10)
InChIKey
GWVMUNNIFCHAQV-UHFFFAOYSA-N
Compound name
5-bromo-3-methoxy-2-methyl-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

216.97385 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.98113 136.1
[M+Na]+ 239.96307 140.2
[M+NH4]+ 235.00767 140.3
[M+K]+ 255.93701 140.7
[M-H]- 215.96657 135.6
[M+Na-2H]- 237.94852 139.2
[M]+ 216.97330 135.3
[M]- 216.97440 135.3
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