CID 43419433

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

Structural Information

Molecular Formula
C7H8BrNO2
SMILES
C1=CC(=O)N(C=C1Br)CCO
InChI
InChI=1S/C7H8BrNO2/c8-6-1-2-7(11)9(5-6)3-4-10/h1-2,5,10H,3-4H2
InChIKey
SBDBRPAWWDUTFV-UHFFFAOYSA-N
Compound name
5-bromo-1-(2-hydroxyethyl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

216.97385 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.981126 133.3
[M+Na]+ 239.963068 146.1
[M-H]- 215.966574 137.6
[M+NH4]+ 235.007673 153.9
[M+K]+ 255.937008 135.0
[M+H-H2O]+ 199.971110 133.4
[M+HCOO]- 261.972051 153.9
[M+CH3COO]- 275.987701 181.4
[M+Na-2H]- 237.948516 141.8
[M]+ 216.97330142 152.6
[M]- 216.97439858 152.6
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