CID 54594081

3-formylimidazo[1,2-a]pyridine-6-carbonitrile

Structural Information

Molecular Formula
C9H5N3O
SMILES
C1=CC2=NC=C(N2C=C1C#N)C=O
InChI
InChI=1S/C9H5N3O/c10-3-7-1-2-9-11-4-8(6-13)12(9)5-7/h1-2,4-6H
InChIKey
YSLAWDMCNJBCGA-UHFFFAOYSA-N
Compound name
3-formylimidazo[1,2-a]pyridine-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.04326 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05054 133.9
[M+Na]+ 194.03248 147.2
[M-H]- 170.03598 135.4
[M+NH4]+ 189.07708 152.3
[M+K]+ 210.00642 142.4
[M+H-H2O]+ 154.04052 119.9
[M+HCOO]- 216.04146 154.2
[M+CH3COO]- 230.05711 146.7
[M+Na-2H]- 192.01793 141.2
[M]+ 171.04271 131.5
[M]- 171.04381 131.5
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

No patent data available for this compound.