CID 541913

4-amino-1,2,5-oxadiazole-3-carboxamide

Structural Information

Molecular Formula
C3H4N4O2
SMILES
C1(=NON=C1N)C(=O)N
InChI
InChI=1S/C3H4N4O2/c4-2-1(3(5)8)6-9-7-2/h(H2,4,7)(H2,5,8)
InChIKey
NQUIGUVMOCOCDD-UHFFFAOYSA-N
Compound name
4-amino-1,2,5-oxadiazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

39
Patents

128.03343 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.040706 121.4
[M+Na]+ 151.022648 130.4
[M-H]- 127.026154 122.9
[M+NH4]+ 146.067253 140.1
[M+K]+ 166.996588 130.8
[M+H-H2O]+ 111.030690 114.2
[M+HCOO]- 173.031631 145.5
[M+CH3COO]- 187.047281 172.4
[M+Na-2H]- 149.008096 127.8
[M]+ 128.03288142 119.7
[M]- 128.03397858 119.7
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