CID 54593208

5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C8H9BrN2O2
SMILES
CN(C)C1=C(C=C(C=N1)Br)C(=O)O
InChI
InChI=1S/C8H9BrN2O2/c1-11(2)7-6(8(12)13)3-5(9)4-10-7/h3-4H,1-2H3,(H,12,13)
InChIKey
WSVUADXXEYJFRX-UHFFFAOYSA-N
Compound name
5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

243.98474 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.99202 141.8
[M+Na]+ 266.97396 144.2
[M+NH4]+ 262.01856 145.5
[M+K]+ 282.94790 145.9
[M-H]- 242.97746 141.6
[M+Na-2H]- 264.95941 144.7
[M]+ 243.98419 140.7
[M]- 243.98529 140.7
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