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

14
Patents

200.97893 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98621 130.0
[M+Na]+ 223.96815 142.6
[M-H]- 199.97165 135.3
[M+NH4]+ 219.01275 151.8
[M+K]+ 239.94209 132.0
[M+H-H2O]+ 183.97619 130.1
[M+HCOO]- 245.97713 151.9
[M+CH3COO]- 259.99278 181.0
[M+Na-2H]- 221.95360 139.8
[M]+ 200.97838 149.5
[M]- 200.97948 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