CID 25306988

6-acetamido-3-bromopicolinic 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 144.9
[M+Na]+ 280.95322 146.4
[M+NH4]+ 275.99782 147.5
[M+K]+ 296.92716 148.7
[M-H]- 256.95672 143.5
[M+Na-2H]- 278.93867 146.6
[M]+ 257.96345 143.2
[M]- 257.96455 143.2
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