CID 22480816

1,2,4-oxadiazole-3-carboxamide

Structural Information

Molecular Formula
C3H3N3O2
SMILES
C1=NC(=NO1)C(=O)N
InChI
InChI=1S/C3H3N3O2/c4-2(7)3-5-1-8-6-3/h1H,(H2,4,7)
InChIKey
LTWSKQYBNYYNRN-UHFFFAOYSA-N
Compound name
1,2,4-oxadiazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

113.02253 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.02981 118.0
[M+Na]+ 136.01175 128.2
[M+NH4]+ 131.05635 124.8
[M+K]+ 151.98569 127.0
[M-H]- 112.01525 118.7
[M+Na-2H]- 133.99720 122.7
[M]+ 113.02198 119.2
[M]- 113.02308 119.2
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