CID 127019393

5-bromo-2-(methylamino)pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C7H7BrN2O2
SMILES
CNC1=NC=C(C(=C1)C(=O)O)Br
InChI
InChI=1S/C7H7BrN2O2/c1-9-6-2-4(7(11)12)5(8)3-10-6/h2-3H,1H3,(H,9,10)(H,11,12)
InChIKey
CEBZXXJJPVOVME-UHFFFAOYSA-N
Compound name
5-bromo-2-(methylamino)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.96909 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.976366 137.3
[M+Na]+ 252.958308 148.8
[M-H]- 228.961814 141.4
[M+NH4]+ 248.002913 156.8
[M+K]+ 268.932248 137.7
[M+H-H2O]+ 212.966350 136.4
[M+HCOO]- 274.967291 157.7
[M+CH3COO]- 288.982941 186.8
[M+Na-2H]- 250.943756 144.7
[M]+ 229.96854142 155.1
[M]- 229.96963858 155.1
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

No patent data available for this compound.