CID 53626263

5-bromo-n-(2-hydroxyethyl)pyridine-2-carboxamide

Structural Information

Molecular Formula
C8H9BrN2O2
SMILES
C1=CC(=NC=C1Br)C(=O)NCCO
InChI
InChI=1S/C8H9BrN2O2/c9-6-1-2-7(11-5-6)8(13)10-3-4-12/h1-2,5,12H,3-4H2,(H,10,13)
InChIKey
FFWMNAFOKQYOPG-UHFFFAOYSA-N
Compound name
5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

243.98474 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.992016 142.3
[M+Na]+ 266.973958 152.6
[M-H]- 242.977464 146.0
[M+NH4]+ 262.018563 161.1
[M+K]+ 282.947898 141.4
[M+H-H2O]+ 226.982000 141.2
[M+HCOO]- 288.982941 162.5
[M+CH3COO]- 302.998591 187.9
[M+Na-2H]- 264.959406 149.9
[M]+ 243.98419142 160.1
[M]- 243.98528858 160.1
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