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

12
Patents

200.97893 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.986206 130.6
[M+Na]+ 223.968148 143.6
[M-H]- 199.971654 134.9
[M+NH4]+ 219.012753 151.9
[M+K]+ 239.942088 132.0
[M+H-H2O]+ 183.976190 131.0
[M+HCOO]- 245.977131 151.0
[M+CH3COO]- 259.992781 179.5
[M+Na-2H]- 221.953596 139.1
[M]+ 200.97838142 148.6
[M]- 200.97947858 148.6
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