CID 59588464

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

Structural Information

Molecular Formula
C8H5IN2O2
SMILES
C1=CN2C(=CN=C2C(=C1)C(=O)O)I
InChI
InChI=1S/C8H5IN2O2/c9-6-4-10-7-5(8(12)13)2-1-3-11(6)7/h1-4H,(H,12,13)
InChIKey
BJXADZFBNVUZMS-UHFFFAOYSA-N
Compound name
3-iodoimidazo[1,2-a]pyridine-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

287.93958 Da
Monoisotopic Mass

2.0
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

No literature data available for this compound.

Patent stripe

patents stripe