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

21
Patents

211.95853 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.96581 127.6
[M+Na]+ 234.94775 143.1
[M-H]- 210.95125 131.7
[M+NH4]+ 229.99235 147.0
[M+K]+ 250.92169 132.2
[M+H-H2O]+ 194.95579 120.8
[M+HCOO]- 256.95673 148.1
[M+CH3COO]- 270.97238 195.8
[M+Na-2H]- 232.93320 135.6
[M]+ 211.95798 140.7
[M]- 211.95908 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