CID 22353988

3-(pyridin-3-yl)-1,2,4-oxadiazol-5-amine

Structural Information

Molecular Formula
C7H6N4O
SMILES
C1=CC(=CN=C1)C2=NOC(=N2)N
InChI
InChI=1S/C7H6N4O/c8-7-10-6(11-12-7)5-2-1-3-9-4-5/h1-4H,(H2,8,10,11)
InChIKey
NMRWJJLIICHVDJ-UHFFFAOYSA-N
Compound name
3-pyridin-3-yl-1,2,4-oxadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

162.05415 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06143 130.0
[M+Na]+ 185.04337 139.8
[M-H]- 161.04687 133.6
[M+NH4]+ 180.08797 146.5
[M+K]+ 201.01731 138.2
[M+H-H2O]+ 145.05141 121.3
[M+HCOO]- 207.05235 153.2
[M+CH3COO]- 221.06800 143.8
[M+Na-2H]- 183.02882 138.5
[M]+ 162.05360 129.6
[M]- 162.05470 129.6
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