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

35
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 129.3
[M+Na]+ 223.96815 142.8
[M-H]- 199.97165 135.0
[M+NH4]+ 219.01275 151.4
[M+K]+ 239.94209 132.2
[M+H-H2O]+ 183.97619 129.6
[M+HCOO]- 245.97713 151.2
[M+CH3COO]- 259.99278 182.0
[M+Na-2H]- 221.95360 138.4
[M]+ 200.97838 149.1
[M]- 200.97948 149.1
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