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

19
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 131.0
[M+Na]+ 248.96340 146.8
[M-H]- 224.96690 135.2
[M+NH4]+ 244.00800 150.1
[M+K]+ 264.93734 135.8
[M+H-H2O]+ 208.97144 124.2
[M+HCOO]- 270.97238 151.2
[M+CH3COO]- 284.98803 199.4
[M+Na-2H]- 246.94885 137.9
[M]+ 225.97363 144.7
[M]- 225.97473 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