CID 239787

2-amino-1,3,4-oxadiazole

Structural Information

Molecular Formula
C2H3N3O
SMILES
C1=NN=C(O1)N
InChI
InChI=1S/C2H3N3O/c3-2-5-4-1-6-2/h1H,(H2,3,5)
InChIKey
APKZPKINPXTSNL-UHFFFAOYSA-N
Compound name
1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

969
Patents

85.02761 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.034886 109.7
[M+Na]+ 108.01683 119.2
[M-H]- 84.020334 111.3
[M+NH4]+ 103.06143 130.7
[M+K]+ 123.99077 120.1
[M+H-H2O]+ 68.024870 103.1
[M+HCOO]- 130.02581 134.3
[M+CH3COO]- 144.04146 161.6
[M+Na-2H]- 106.00228 119.3
[M]+ 85.027061 109.0
[M]- 85.028159 109.0
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.