CID 68502732

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

Structural Information

Molecular Formula
C7H5BrN2O
SMILES
CN1C=C(C=C(C1=O)C#N)Br
InChI
InChI=1S/C7H5BrN2O/c1-10-4-6(8)2-5(3-9)7(10)11/h2,4H,1H3
InChIKey
RYKBEVODXFFZTD-UHFFFAOYSA-N
Compound name
5-bromo-1-methyl-2-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

211.95853 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.965806 127.6
[M+Na]+ 234.947748 143.1
[M-H]- 210.951254 131.7
[M+NH4]+ 229.992353 147.0
[M+K]+ 250.921688 132.2
[M+H-H2O]+ 194.955790 120.8
[M+HCOO]- 256.956731 148.1
[M+CH3COO]- 270.972381 195.8
[M+Na-2H]- 232.933196 135.6
[M]+ 211.95798142 140.7
[M]- 211.95907858 140.7
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