CID 17965942

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

Structural Information

Molecular Formula
C8H7BrN2O
SMILES
CC1=C(C=C(C(=O)N1C)C#N)Br
InChI
InChI=1S/C8H7BrN2O/c1-5-7(9)3-6(4-10)8(12)11(5)2/h3H,1-2H3
InChIKey
JQTOEFNGSMKRJB-UHFFFAOYSA-N
Compound name
5-bromo-1,6-dimethyl-2-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

225.97418 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.981456 131.0
[M+Na]+ 248.963398 146.8
[M-H]- 224.966904 135.2
[M+NH4]+ 244.008003 150.1
[M+K]+ 264.937338 135.8
[M+H-H2O]+ 208.971440 124.2
[M+HCOO]- 270.972381 151.2
[M+CH3COO]- 284.988031 199.4
[M+Na-2H]- 246.948846 137.9
[M]+ 225.97363142 144.7
[M]- 225.97472858 144.7
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