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

17
Patents

243.98474 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.992016 141.3
[M+Na]+ 266.973958 152.6
[M-H]- 242.977464 146.7
[M+NH4]+ 262.018563 160.9
[M+K]+ 282.947898 142.7
[M+H-H2O]+ 226.982000 140.2
[M+HCOO]- 288.982941 161.9
[M+CH3COO]- 302.998591 192.8
[M+Na-2H]- 264.959406 147.6
[M]+ 243.98419142 160.6
[M]- 243.98528858 160.6
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