CID 66176890

5-bromo-n-(2,3-dihydroxypropyl)pyridine-2-carboxamide

Structural Information

Molecular Formula
C9H11BrN2O3
SMILES
C1=CC(=NC=C1Br)C(=O)NCC(CO)O
InChI
InChI=1S/C9H11BrN2O3/c10-6-1-2-8(11-3-6)9(15)12-4-7(14)5-13/h1-3,7,13-14H,4-5H2,(H,12,15)
InChIKey
OZNINFZPNFTTLI-UHFFFAOYSA-N
Compound name
5-bromo-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.9953 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.00258 150.5
[M+Na]+ 296.98452 159.4
[M-H]- 272.98802 152.6
[M+NH4]+ 292.02912 167.1
[M+K]+ 312.95846 148.0
[M+H-H2O]+ 256.99256 148.9
[M+HCOO]- 318.99350 168.0
[M+CH3COO]- 333.00915 191.3
[M+Na-2H]- 294.96997 155.8
[M]+ 273.99475 167.4
[M]- 273.99585 167.4
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

No patent data available for this compound.