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

8
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 130.6
[M+Na]+ 223.96815 143.6
[M-H]- 199.97165 134.9
[M+NH4]+ 219.01275 151.9
[M+K]+ 239.94209 132.0
[M+H-H2O]+ 183.97619 131.0
[M+HCOO]- 245.97713 151.0
[M+CH3COO]- 259.99278 179.5
[M+Na-2H]- 221.95360 139.1
[M]+ 200.97838 148.6
[M]- 200.97948 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