CID 12804

704-56-3

Structural Information

Molecular Formula
C7H6N4O
SMILES
C1=CN=CC=C1C2=NN=C(O2)N
InChI
InChI=1S/C7H6N4O/c8-7-11-10-6(12-7)5-1-3-9-4-2-5/h1-4H,(H2,8,11)
InChIKey
JQGJTYPZTLAQIC-UHFFFAOYSA-N
Compound name
5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

12
Patents

162.05415 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06143 130.4
[M+Na]+ 185.04337 143.8
[M+NH4]+ 180.08797 138.0
[M+K]+ 201.01731 140.6
[M-H]- 161.04687 134.1
[M+Na-2H]- 183.02882 138.8
[M]+ 162.05360 133.2
[M]- 162.05470 133.2
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