CID 3006911

2h-1,2,4-oxadiazin-3(6h)-one, 5-amino-

Structural Information

Molecular Formula
C3H5N3O2
SMILES
C1C(=NC(=O)NO1)N
InChI
InChI=1S/C3H5N3O2/c4-2-1-8-6-3(7)5-2/h1H2,(H3,4,5,6,7)
InChIKey
BSVSLABSEWHIEP-UHFFFAOYSA-N
Compound name
5-amino-6H-1,2,4-oxadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

115.03818 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.04546 120.2
[M+Na]+ 138.02740 128.1
[M-H]- 114.03090 120.1
[M+NH4]+ 133.07200 137.5
[M+K]+ 154.00134 127.7
[M+H-H2O]+ 98.035440 113.5
[M+HCOO]- 160.03638 139.8
[M+CH3COO]- 174.05203 165.2
[M+Na-2H]- 136.01285 128.4
[M]+ 115.03763 115.6
[M]- 115.03873 115.6
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