CID 136197528

154020-18-5

Structural Information

Molecular Formula
C2H3N3O2
SMILES
C1(=NOC(=O)N1)N
InChI
InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)
InChIKey
NSJWCGRUQOIQQH-UHFFFAOYSA-N
Compound name
3-amino-4H-1,2,4-oxadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

101.02253 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.02981 112.9
[M+Na]+ 124.01175 123.1
[M-H]- 100.01525 113.5
[M+NH4]+ 119.05635 132.8
[M+K]+ 139.98569 122.8
[M+H-H2O]+ 84.019790 106.7
[M+HCOO]- 146.02073 136.4
[M+CH3COO]- 160.03638 161.5
[M+Na-2H]- 121.99720 121.2
[M]+ 101.02198 111.4
[M]- 101.02308 111.4
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.