CID 68738532

4-bromo-1-(2-hydroxyethyl)pyridin-2(1h)-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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 136.5
[M+Na]+ 239.96307 140.3
[M+NH4]+ 235.00767 140.7
[M+K]+ 255.93701 140.6
[M-H]- 215.96657 136.0
[M+Na-2H]- 237.94852 139.9
[M]+ 216.97330 135.6
[M]- 216.97440 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe