CID 66462023

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

Structural Information

Molecular Formula
C7H5ClN4O
SMILES
C1=CN=CC(=C1C2=NN=C(O2)N)Cl
InChI
InChI=1S/C7H5ClN4O/c8-5-3-10-2-1-4(5)6-11-12-7(9)13-6/h1-3H,(H2,9,12)
InChIKey
GCKCANMYUXHJHY-UHFFFAOYSA-N
Compound name
5-(3-chloropyridin-4-yl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.01518 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.02246 137.6
[M+Na]+ 219.00440 148.8
[M-H]- 195.00790 141.1
[M+NH4]+ 214.04900 153.7
[M+K]+ 234.97834 145.5
[M+H-H2O]+ 179.01244 129.2
[M+HCOO]- 241.01338 155.9
[M+CH3COO]- 255.02903 151.1
[M+Na-2H]- 216.98985 144.5
[M]+ 196.01463 139.3
[M]- 196.01573 139.3
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

No patent data available for this compound.