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

128
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 116.9
[M+Na]+ 136.01175 125.9
[M-H]- 112.01525 118.5
[M+NH4]+ 131.05635 136.6
[M+K]+ 151.98569 126.9
[M+H-H2O]+ 96.019790 110.1
[M+HCOO]- 158.02073 140.7
[M+CH3COO]- 172.03638 166.7
[M+Na-2H]- 133.99720 124.8
[M]+ 113.02198 116.7
[M]- 113.02308 116.7
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