CID 71757264

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

Structural Information

Molecular Formula
C8H4IN3
SMILES
C1=CN2C(=CN=C2C(=C1)C#N)I
InChI
InChI=1S/C8H4IN3/c9-7-5-11-8-6(4-10)2-1-3-12(7)8/h1-3,5H
InChIKey
RNUCRHBDTAKEPR-UHFFFAOYSA-N
Compound name
3-iodoimidazo[1,2-a]pyridine-8-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

268.94498 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.952256 134.0
[M+Na]+ 291.934198 140.8
[M-H]- 267.937704 129.3
[M+NH4]+ 286.978803 148.4
[M+K]+ 307.908138 141.3
[M+H-H2O]+ 251.942240 117.6
[M+HCOO]- 313.943181 149.7
[M+CH3COO]- 327.958831 143.1
[M+Na-2H]- 289.919646 131.2
[M]+ 268.94443142 128.7
[M]- 268.94552858 128.7
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