CID 55266119

3-formylimidazo[1,2-a]pyridine-7-carbonitrile

Structural Information

Molecular Formula
C9H5N3O
SMILES
C1=CN2C(=NC=C2C=O)C=C1C#N
InChI
InChI=1S/C9H5N3O/c10-4-7-1-2-12-8(6-13)5-11-9(12)3-7/h1-3,5-6H
InChIKey
OUZGXCMVWSCDFQ-UHFFFAOYSA-N
Compound name
3-formylimidazo[1,2-a]pyridine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

171.04326 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.050536 133.9
[M+Na]+ 194.032478 147.2
[M-H]- 170.035984 135.4
[M+NH4]+ 189.077083 152.3
[M+K]+ 210.006418 142.4
[M+H-H2O]+ 154.040520 119.9
[M+HCOO]- 216.041461 154.2
[M+CH3COO]- 230.057111 146.7
[M+Na-2H]- 192.017926 141.2
[M]+ 171.04271142 131.5
[M]- 171.04380858 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

patents stripe