CID 60665626

5-bromo-1-(2-oxopropyl)-1,2-dihydropyridin-2-one hydrochloride

Structural Information

Molecular Formula
C8H8BrNO2
SMILES
CC(=O)CN1C=C(C=CC1=O)Br
InChI
InChI=1S/C8H8BrNO2/c1-6(11)4-10-5-7(9)2-3-8(10)12/h2-3,5H,4H2,1H3
InChIKey
OHBXDSMXGOYFOC-UHFFFAOYSA-N
Compound name
5-bromo-1-(2-oxopropyl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.97385 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.98113 135.3
[M+Na]+ 251.96307 148.3
[M-H]- 227.96657 141.0
[M+NH4]+ 247.00767 156.1
[M+K]+ 267.93701 137.8
[M+H-H2O]+ 211.97111 135.3
[M+HCOO]- 273.97205 156.4
[M+CH3COO]- 287.98770 186.7
[M+Na-2H]- 249.94852 142.8
[M]+ 228.97330 155.6
[M]- 228.97440 155.6
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

No patent data available for this compound.