CID 11680113

4-(1-methyl-1h-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine

Structural Information

Molecular Formula
C9H8N6O
SMILES
CN1C2=C(C=NC=C2)N=C1C3=NON=C3N
InChI
InChI=1S/C9H8N6O/c1-15-6-2-3-11-4-5(6)12-9(15)7-8(10)14-16-13-7/h2-4H,1H3,(H2,10,14)
InChIKey
OHBDLKLACOYJNL-UHFFFAOYSA-N
Compound name
4-(1-methylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

216.07596 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08324 144.4
[M+Na]+ 239.06518 157.5
[M-H]- 215.06868 147.8
[M+NH4]+ 234.10978 159.4
[M+K]+ 255.03912 154.5
[M+H-H2O]+ 199.07322 135.2
[M+HCOO]- 261.07416 166.2
[M+CH3COO]- 275.08981 157.8
[M+Na-2H]- 237.05063 150.6
[M]+ 216.07541 147.8
[M]- 216.07651 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe