CID 25306988

3-bromo-6-acetamidopyridine-2-carboxylic acid

Structural Information

Molecular Formula
C8H7BrN2O3
SMILES
CC(=O)NC1=NC(=C(C=C1)Br)C(=O)O
InChI
InChI=1S/C8H7BrN2O3/c1-4(12)10-6-3-2-5(9)7(11-6)8(13)14/h2-3H,1H3,(H,13,14)(H,10,11,12)
InChIKey
VDJNVGKMWAUADR-UHFFFAOYSA-N
Compound name
6-acetamido-3-bromopyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

257.964 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.97128 143.2
[M+Na]+ 280.95322 154.2
[M-H]- 256.95672 147.3
[M+NH4]+ 275.99782 161.4
[M+K]+ 296.92716 143.3
[M+H-H2O]+ 240.96126 142.0
[M+HCOO]- 302.96220 162.8
[M+CH3COO]- 316.97785 191.1
[M+Na-2H]- 278.93867 149.0
[M]+ 257.96345 161.3
[M]- 257.96455 161.3
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