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

18
Patents

225.97418 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.98146 137.7
[M+Na]+ 248.96340 142.9
[M+NH4]+ 244.00800 139.6
[M+K]+ 264.93734 139.8
[M-H]- 224.96690 131.9
[M+Na-2H]- 246.94885 139.4
[M]+ 225.97363 135.1
[M]- 225.97473 135.1
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

patents stripe