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

10
Patents

243.98474 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.99202 142.3
[M+Na]+ 266.97396 152.6
[M-H]- 242.97746 146.0
[M+NH4]+ 262.01856 161.1
[M+K]+ 282.94790 141.4
[M+H-H2O]+ 226.98200 141.2
[M+HCOO]- 288.98294 162.5
[M+CH3COO]- 302.99859 187.9
[M+Na-2H]- 264.95941 149.9
[M]+ 243.98419 160.1
[M]- 243.98529 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