CID 577206

1-(1h-imidazo[4,5-c]pyridin-4-yl)ethanone

Structural Information

Molecular Formula
C8H7N3O
SMILES
CC(=O)C1=NC=CC2=C1N=CN2
InChI
InChI=1S/C8H7N3O/c1-5(12)7-8-6(2-3-9-7)10-4-11-8/h2-4H,1H3,(H,10,11)
InChIKey
WTOOGKIOBGXDDY-UHFFFAOYSA-N
Compound name
1-(1H-imidazo[4,5-c]pyridin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

161.05891 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.066186 130.9
[M+Na]+ 184.048128 141.7
[M-H]- 160.051634 130.9
[M+NH4]+ 179.092733 150.0
[M+K]+ 200.022068 138.3
[M+H-H2O]+ 144.056170 123.6
[M+HCOO]- 206.057111 151.9
[M+CH3COO]- 220.072761 144.5
[M+Na-2H]- 182.033576 138.7
[M]+ 161.05836142 131.6
[M]- 161.05945858 131.6
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