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]+ 212.96581 129.6
[M+Na]+ 234.94775 144.7
[M-H]- 210.95125 132.5
[M+NH4]+ 229.99235 148.4
[M+K]+ 250.92169 133.0
[M+H-H2O]+ 194.95579 123.0
[M+HCOO]- 256.95673 148.8
[M+CH3COO]- 270.97238 193.6
[M+Na-2H]- 232.93320 137.0
[M]+ 211.95798 141.1
[M]- 211.95908 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.