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

2
Patents

254.96434 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.97162 143.4
[M+Na]+ 277.95356 157.5
[M-H]- 253.95706 147.7
[M+NH4]+ 272.99816 163.5
[M+K]+ 293.92750 145.8
[M+H-H2O]+ 237.96160 142.7
[M+HCOO]- 299.96254 163.9
[M+CH3COO]- 313.97819 190.2
[M+Na-2H]- 275.93901 150.3
[M]+ 254.96379 162.6
[M]- 254.96489 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