CID 12272664

51417-13-1

Structural Information

Molecular Formula
C7H8BrNO
SMILES
CC1=CC(=CN(C1=O)C)Br
InChI
InChI=1S/C7H8BrNO/c1-5-3-6(8)4-9(2)7(5)10/h3-4H,1-2H3
InChIKey
UEHHXNZKBMALIY-UHFFFAOYSA-N
Compound name
5-bromo-1,3-dimethylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

229
Patents

200.97893 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98621 128.5
[M+Na]+ 223.96815 142.8
[M-H]- 199.97165 134.6
[M+NH4]+ 219.01275 150.9
[M+K]+ 239.94209 132.3
[M+H-H2O]+ 183.97619 129.0
[M+HCOO]- 245.97713 150.4
[M+CH3COO]- 259.99278 183.1
[M+Na-2H]- 221.95360 137.0
[M]+ 200.97838 148.7
[M]- 200.97948 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe