CID 24689002

1-(2-bromoethyl)-1,2-dihydropyridin-2-one hydrobromide

Structural Information

Molecular Formula
C7H8BrNO
SMILES
C1=CC(=O)N(C=C1)CCBr
InChI
InChI=1S/C7H8BrNO/c8-4-6-9-5-2-1-3-7(9)10/h1-3,5H,4,6H2
InChIKey
NATIFIFIDLQXIT-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

200.97893 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.986206 130.0
[M+Na]+ 223.968148 142.6
[M-H]- 199.971654 135.3
[M+NH4]+ 219.012753 151.8
[M+K]+ 239.942088 132.0
[M+H-H2O]+ 183.976190 130.1
[M+HCOO]- 245.977131 151.9
[M+CH3COO]- 259.992781 181.0
[M+Na-2H]- 221.953596 139.8
[M]+ 200.97838142 149.5
[M]- 200.97947858 149.5
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