CID 72208521

3-iodoimidazo[1,2-a]pyridine-8-carbaldehyde

Structural Information

Molecular Formula
C8H5IN2O
SMILES
C1=CN2C(=CN=C2C(=C1)C=O)I
InChI
InChI=1S/C8H5IN2O/c9-7-4-10-8-6(5-12)2-1-3-11(7)8/h1-5H
InChIKey
GQBINQJYNDOMPZ-UHFFFAOYSA-N
Compound name
3-iodoimidazo[1,2-a]pyridine-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

271.94467 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.951946 131.8
[M+Na]+ 294.933888 136.8
[M-H]- 270.937394 127.7
[M+NH4]+ 289.978493 148.2
[M+K]+ 310.907828 139.6
[M+H-H2O]+ 254.941930 121.8
[M+HCOO]- 316.942871 151.4
[M+CH3COO]- 330.958521 185.8
[M+Na-2H]- 292.919336 128.8
[M]+ 271.94412142 132.4
[M]- 271.94521858 132.4
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