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

27
Patents

268.94498 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.95226 134.0
[M+Na]+ 291.93420 140.8
[M-H]- 267.93770 129.3
[M+NH4]+ 286.97880 148.4
[M+K]+ 307.90814 141.3
[M+H-H2O]+ 251.94224 117.6
[M+HCOO]- 313.94318 149.7
[M+CH3COO]- 327.95883 143.1
[M+Na-2H]- 289.91965 131.2
[M]+ 268.94443 128.7
[M]- 268.94553 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