CID 67145043

1236031-42-7

Structural Information

Molecular Formula
C7H8BrNO
SMILES
CN1C=CC(=CC1=O)CBr
InChI
InChI=1S/C7H8BrNO/c1-9-3-2-6(5-8)4-7(9)10/h2-4H,5H2,1H3
InChIKey
TXLBLTVJLCDDJQ-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

200.97893 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98621 132.0
[M+Na]+ 223.96815 136.7
[M+NH4]+ 219.01275 137.0
[M+K]+ 239.94209 136.3
[M-H]- 199.97165 132.4
[M+Na-2H]- 221.95360 136.4
[M]+ 200.97838 131.6
[M]- 200.97948 131.6
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