CID 135456618

1198-99-8

Structural Information

Molecular Formula
C7H5N3O2
SMILES
C1=CC(=CN=C1)C2=NOC(=O)N2
InChI
InChI=1S/C7H5N3O2/c11-7-9-6(10-12-7)5-2-1-3-8-4-5/h1-4H,(H,9,10,11)
InChIKey
XSSFIDOWUWMEBD-UHFFFAOYSA-N
Compound name
3-pyridin-3-yl-4H-1,2,4-oxadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

163.03818 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.04546 128.7
[M+Na]+ 186.02740 139.1
[M-H]- 162.03090 131.4
[M+NH4]+ 181.07200 144.9
[M+K]+ 202.00134 137.1
[M+H-H2O]+ 146.03544 120.6
[M+HCOO]- 208.03638 150.3
[M+CH3COO]- 222.05203 142.5
[M+Na-2H]- 184.01285 137.1
[M]+ 163.03763 128.8
[M]- 163.03873 128.8
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