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]+ 272.95195 131.8
[M+Na]+ 294.93389 136.8
[M-H]- 270.93739 127.7
[M+NH4]+ 289.97849 148.2
[M+K]+ 310.90783 139.6
[M+H-H2O]+ 254.94193 121.8
[M+HCOO]- 316.94287 151.4
[M+CH3COO]- 330.95852 185.8
[M+Na-2H]- 292.91934 128.8
[M]+ 271.94412 132.4
[M]- 271.94522 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