CID 82528975

3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C8H6BrN3O2
SMILES
C1=CN2C(=C(N=C2C(=C1)Br)C(=O)O)N
InChI
InChI=1S/C8H6BrN3O2/c9-4-2-1-3-12-6(10)5(8(13)14)11-7(4)12/h1-3H,10H2,(H,13,14)
InChIKey
RLWMPGVUJPSGEV-UHFFFAOYSA-N
Compound name
3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

254.96434 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.971616 143.4
[M+Na]+ 277.953558 157.5
[M-H]- 253.957064 147.7
[M+NH4]+ 272.998163 163.5
[M+K]+ 293.927498 145.8
[M+H-H2O]+ 237.961600 142.7
[M+HCOO]- 299.962541 163.9
[M+CH3COO]- 313.978191 190.2
[M+Na-2H]- 275.939006 150.3
[M]+ 254.96379142 162.6
[M]- 254.96488858 162.6
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