CID 97181315

5-bromo-2-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile

Structural Information

Molecular Formula
C7H5BrN2O
SMILES
CC1=C(C=C(C(=O)N1)Br)C#N
InChI
InChI=1S/C7H5BrN2O/c1-4-5(3-9)2-6(8)7(11)10-4/h2H,1H3,(H,10,11)
InChIKey
MBXZGOJTKAEFBE-UHFFFAOYSA-N
Compound name
5-bromo-2-methyl-6-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.95853 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.965806 129.6
[M+Na]+ 234.947748 144.7
[M-H]- 210.951254 132.5
[M+NH4]+ 229.992353 148.4
[M+K]+ 250.921688 133.0
[M+H-H2O]+ 194.955790 123.0
[M+HCOO]- 256.956731 148.8
[M+CH3COO]- 270.972381 193.6
[M+Na-2H]- 232.933196 137.0
[M]+ 211.95798142 141.1
[M]- 211.95907858 141.1
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.