CID 67069965

1206774-09-5

Structural Information

Molecular Formula
C7H8BrNO
SMILES
CCC1=CC=C(C(=O)N1)Br
InChI
InChI=1S/C7H8BrNO/c1-2-5-3-4-6(8)7(10)9-5/h3-4H,2H2,1H3,(H,9,10)
InChIKey
HYNGCWHQINFMPF-UHFFFAOYSA-N
Compound name
3-bromo-6-ethyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

200.97893 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98621 133.0
[M+Na]+ 223.96815 137.3
[M+NH4]+ 219.01275 137.8
[M+K]+ 239.94209 137.1
[M-H]- 199.97165 133.0
[M+Na-2H]- 221.95360 136.9
[M]+ 200.97838 132.4
[M]- 200.97948 132.4
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