CID 25919001

3-iodoimidazo[1,2-a]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C8H5IN2O2
SMILES
C1=CC2=NC(=C(N2C=C1)I)C(=O)O
InChI
InChI=1S/C8H5IN2O2/c9-7-6(8(12)13)10-5-3-1-2-4-11(5)7/h1-4H,(H,12,13)
InChIKey
CAOQGKNMVLAPPG-UHFFFAOYSA-N
Compound name
3-iodoimidazo[1,2-a]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

287.93958 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.94686 137.7
[M+Na]+ 310.92880 141.7
[M-H]- 286.93230 132.4
[M+NH4]+ 305.97340 152.5
[M+K]+ 326.90274 144.7
[M+H-H2O]+ 270.93684 127.8
[M+HCOO]- 332.93778 155.0
[M+CH3COO]- 346.95343 186.1
[M+Na-2H]- 308.91425 132.9
[M]+ 287.93903 137.1
[M]- 287.94013 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe