CID 155858478

2580204-31-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.96909 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.97637 139.7
[M+Na]+ 252.95831 142.1
[M+NH4]+ 248.00291 143.3
[M+K]+ 268.93225 143.5
[M-H]- 228.96181 139.2
[M+Na-2H]- 250.94376 142.5
[M]+ 229.96854 138.5
[M]- 229.96964 138.5
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.