CID 73293298

1258849-38-5

Structural Information

Molecular Formula
C5H6BrNO
SMILES
C1CNC(=O)C(=C1)Br
InChI
InChI=1S/C5H6BrNO/c6-4-2-1-3-7-5(4)8/h2H,1,3H2,(H,7,8)
InChIKey
XLMBRTWEFHUWRU-UHFFFAOYSA-N
Compound name
5-bromo-2,3-dihydro-1H-pyridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

174.96329 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.970566 126.3
[M+Na]+ 197.952508 137.4
[M-H]- 173.956014 130.0
[M+NH4]+ 192.997113 148.1
[M+K]+ 213.926448 126.7
[M+H-H2O]+ 157.960550 126.9
[M+HCOO]- 219.961491 144.7
[M+CH3COO]- 233.977141 173.4
[M+Na-2H]- 195.937956 134.6
[M]+ 174.96274142 140.6
[M]- 174.96383858 140.6
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