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

82
Patents

216.97385 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.98113 133.3
[M+Na]+ 239.96307 146.1
[M-H]- 215.96657 137.6
[M+NH4]+ 235.00767 153.9
[M+K]+ 255.93701 135.0
[M+H-H2O]+ 199.97111 133.4
[M+HCOO]- 261.97205 153.9
[M+CH3COO]- 275.98770 181.4
[M+Na-2H]- 237.94852 141.8
[M]+ 216.97330 152.6
[M]- 216.97440 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