CID 135415572

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

Structural Information

Molecular Formula

C₃H₅N₃O₃

SMILES

C1/C(=N\O)/NC(=O)NO1

InChI

InChI=1S/C3H5N3O3/c7-3-4-2(5-8)1-9-6-3/h8H,1H2,(H2,4,5,6,7)

InChIKey

XSWYCDWEDMSEBU-UHFFFAOYSA-N

Compound name

(5E)-5-hydroxyimino-1,2,4-oxadiazinan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 131.0331 Da
Monoisotopic Mass: -0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	132.04038	124.2
[M+Na]+	154.02232	130.9
[M-H]-	130.02582	122.8
[M+NH4]+	149.06692	140.2
[M+K]+	169.99626	130.0
[M+H-H2O]+	114.03036	117.5
[M+HCOO]-	176.03130	141.8
[M+CH3COO]-	190.04695	164.5
[M+Na-2H]-	152.00777	131.9
[M]+	131.03255	117.9
[M]-	131.03365	117.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.